Self- assembling molecule, perovskite solar cell, photovoltaic module, power generation device, and electric device

Abstract

The present application relates to a self-assembling molecule, a perovskite solar cell, a photovoltaic module, a power generation device, and an electric device. The perovskite solar cell comprises a first electrode, a functional layer, a perovskite light-absorbing layer, and a second electrode which are stacked in a thickness direction of the perovskite solar cell. The functional layer comprises the self-assembling molecule, and the self-assembling molecule comprises one or more of a structural formula shown in formula I1, a structural formula shown in formula I2, a structural formula shown in formula I3, and a structural formula shown in formula I4.

Description

Self-assembled molecules, perovskite solar cells, photovoltaic modules, power generation devices, and power consumption devices

[0001] Cross Reference to Related Applications

[0002] This application claims priority to Chinese Patent Application No. 202411377125.6, filed on September 30, 2024, entitled “Self-assembled molecules, perovskite solar cells, photovoltaic modules, power generation devices, and power consumption devices,” the entire contents of which are incorporated herein by reference. TECHNICAL FIELD

[0003] The present application relates to the field of solar cells, and in particular to a self-assembled molecule, a perovskite solar cell, a photovoltaic module, a power generation device, and a power consumption device. BACKGROUND

[0004] Perovskite solar cells are solar cells that use organic metal halide perovskite materials as light-absorbing layers, have excellent photoelectric properties, and have a simple preparation method, bringing new space and hope for photovoltaic power generation.

[0005] At present, how to further improve the photoelectric conversion efficiency and device stability of perovskite solar cells is a problem to be solved. SUMMARY

[0006] The present application provides a self-assembled molecule, a perovskite solar cell, a photovoltaic module, a power generation device, and a power consumption device. The photoelectric conversion efficiency and device stability of the perovskite solar cell described in the present application can be improved.

[0007] In a first aspect, the embodiments of the present application provide a perovskite solar cell, the perovskite solar cell comprising a first electrode, a functional layer, a perovskite light-absorbing layer, and a second electrode stacked along a thickness direction of the perovskite solar cell, wherein the functional layer comprises a self-assembled molecule, the self-assembled molecule comprising one or more of a structural formula represented by Formula I1, a structural formula represented by Formula I2, a structural formula represented by Formula I3, or a structural formula represented by Formula I4,

[0008] The self-assembled molecule comprises a structural formula represented by Formula I1,

[0009] In Formula I1, Ar1 represents a hole-extracting group having a ring atom number of C10 to C30;

[0010] D1 comprises a substituted or unsubstituted heteroaromatic ring group, or a substituted or unsubstituted alkenylene group;

[0011] E1 represents an oxygen-containing group;

[0012] n1 represents the number of connection sites of D1 and Ar1, and n1 is any positive integer from 1 to 8;

[0013] The self-assembling molecule includes a structural formula represented by Formula I2,

[0014] In Formula I2, Ar2 represents a hole extraction group having a ring atom number of C10 to C30;

[0015] D 21 and D 22 one of which includes a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group; D 21 and D 22 the other of which includes a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group;

[0016] E2 represents an oxygen-containing group;

[0017] n2 represents the number of connection sites of D 21 and Ar2, and n2 is any positive integer from 1 to 8;

[0018] The self-assembling molecule includes a structural formula represented by Formula I3,

[0019] In Formula I3, Ar3 represents a hole extraction group having a ring atom number of C31 to C60;

[0020] D3 includes a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group;

[0021] E3 represents an oxygen-containing group;

[0022] n3 represents the number of connection sites of D3 and Ar3, and n3 is any positive integer from 2 to 8;

[0023] The self-assembling molecule includes a structural formula represented by Formula I4,

[0024] In Formula I4, Ar4 represents a hole extraction group having a ring atom number of C31 to C60;

[0025] D 41 and D 42 each independently includes a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group;

[0026] n4 represents the number of connection sites of D 41 and Ar4, and n4 is any positive integer from 2 to 8;

[0027] E4 represents an oxygen-containing group.

[0028] Thus, the self-assembled molecule according to the embodiments of the present application, the self-assembled molecule comprises a hole extraction group, a conjugated group and an oxygen-containing group, the hole extraction group is connected to the oxygen-containing group through the conjugated group, which can improve the conjugation of the whole molecule, reduce the migration energy barrier of the carrier in the molecule, and improve the conductivity of the self-assembled molecule; and since the electron cloud is distributed in the whole molecule, the risk of decline of the stability of the molecule caused by too high local energy can be reduced, and the intrinsic stability of the self-assembled molecule is improved.

[0029] In some embodiments, the hole extraction group with the number of ring-forming atoms being C10 to C30 comprises a substituted or unsubstituted aniline group with the number of ring-forming atoms being C10 to C30, a substituted or unsubstituted acridine group with the number of ring-forming atoms being C10 to C30, and in the case of being substituted, the substituent group comprises one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group or a C1 to C5 alkyl group.

[0030] When the self-assembled molecule is applied to a perovskite solar cell, the hole extraction group is beneficial to the extraction and transmission of holes, and on the basis of the hole extraction group, the conjugated group is beneficial to improving the conjugation of the whole molecule, reducing the migration energy barrier of the carrier in the molecule, and improving the conductivity of the self-assembled molecule.

[0031] In some embodiments, the substituted or unsubstituted aniline group with the number of ring-forming atoms being C10 to C30 comprises a structure represented by Formula A1,

[0032] In Formula A1,

[0033] M 11 and M 12 Each independently comprises a substituted or unsubstituted aromatic group with the number of ring-forming atoms being C5 to C15;

[0034] M 13 comprises a substituted or unsubstituted aromatic group with the number of ring-forming atoms being C5 to C15;

[0035] In the case of being substituted, the substituent group comprises one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group or a C1 to C5 alkyl group.

[0036] When the self-assembled molecule is applied to a perovskite solar cell, in the case of the aniline group, especially the triphenylamine group, as a hole extraction group, the conjugated group makes the dipole moment closer to the perovskite material, which is beneficial to the extraction and transmission of holes.

[0037] In some embodiments, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes one or more of the structures represented by formula A 1-1 to a substituted or unsubstituted formula A 1-5 In some embodiments, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes one or more of the structures represented by formula A

[0038] wherein * represents a connection site of the hole extraction group to D1, or * represents a connection site of the hole extraction group to D 21 ;

[0039] s1, s2, s3, and s4 are each an integer of 0 to 3, and in the same structural formula, s1, s2, s3, and s4 are not simultaneously 0.

[0040] In some embodiments, the substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30 includes a structure represented by formula A2,

[0041] In formula A2,

[0042] M 21 includes a single bond, a substituted or unsubstituted ring-forming atom number of C6 to C15 arylene group, or a substituted or unsubstituted ring-forming atom number of C5 to C15 heteroarylene group;

[0043] M 22 and M 23 each independently includes a substituted or unsubstituted ring-forming atom number of C6 to C15 aryl group, or a substituted or unsubstituted ring-forming atom number of C6 to C15 heteroaryl group; in the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0044] In some embodiments, the substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30 includes a structure represented by formula A2, 2-1 to a substituted or unsubstituted formula A 2-3 In some embodiments, the substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30 includes a structure represented by formula A2,

[0045] wherein * represents a connection site of the hole extraction group to D1, or * represents a connection site of the hole extraction group to D 21 ;

[0046] s1, s2 are each an integer of 0 to 3, and in the same structural formula, s1, s2 are not simultaneously 0.

[0047] In some embodiments, the hole extraction group having a ring-forming atom number of C31 to C60 includes a substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60, and in the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0048] When the self-assembled molecule is applied to a perovskite solar cell, the above hole extraction group is beneficial to the extraction and transport of holes, and on the basis of the above hole extraction group, the conjugated group is beneficial to improving the conjugation of the whole molecule, reducing the migration energy barrier of the carrier in the molecule, and improving the conductivity of the self-assembled molecule.

[0049] In some embodiments, the substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of a structure represented by formula B1,

[0050] In formula B1,

[0051] S 20 includes a single bond, a substituted or unsubstituted arylene group having a ring-forming atom number of C6 to C30, or a substituted or unsubstituted aromatic heterocyclic group having a ring-forming atom number of C5 to C30;

[0052] S 21 and S 22 each independently includes a substituted or unsubstituted aryl group having a ring-forming atom number of C6 to C30, or a substituted or unsubstituted nitrogen-containing aromatic heterocyclic group having a ring-forming atom number of C6 to C30;

[0053] In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0054] In some embodiments, the substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of a substituted or unsubstituted structure represented by formula B 1-1 to a substituted or unsubstituted structure represented by formula B 1-6 ,

[0055] In the formula, * represents a connection site of the hole extraction group and D3, or * represents a connection site of the hole extraction group and D 41 ;

[0056] s1, s2, s3, s4, s5, and s6 are any one of 0 to 3, and in the same structural formula, s1, s2, s3, s4, s5, and s6 are not simultaneously 0.

[0057] In some embodiments, D1 includes a substituted or unsubstituted aromatic heterocyclic group, which is more stable and can further improve the intrinsic stability of the self-assembled molecule.

[0058] In some embodiments, D 21 and D 22 one of which includes a substituted or unsubstituted aromatic heterocyclic group; D 21 and D 22 the other of which includes a substituted or unsubstituted aromatic heterocyclic group. Such groups are more stable and can further improve the intrinsic stability of the self-assembled molecule.

[0059] In some embodiments, D3 includes a substituted or unsubstituted aromatic heterocyclic group, which is more stable and can further improve the intrinsic stability of the self-assembled molecule.

[0060] In some embodiments, D 41 and D 42 each independently includes a substituted or unsubstituted aromatic heterocyclic group. Such groups are more stable and can further improve the intrinsic stability of the self-assembled molecule.

[0061] In some embodiments, D 21 , D 22 , D3, D 41 and D 42 each independently includes a substituted or unsubstituted aromatic heterocyclic group. Such groups are more stable and can further improve the intrinsic stability of the self-assembled molecule.

[0062] In some embodiments, the substituted or unsubstituted aromatic heterocyclic group includes one or more of a substituted or unsubstituted structure represented by formula G 1-1 to a substituted or unsubstituted structure represented by formula G 1-3 ,

[0063] wherein * represents a connection site of one of D 21 , D3, D 41 to the hole extraction group;

[0064] # represents a connection site of one of D 22 , D3, D 42 to the oxygen-containing group.

[0065] In some embodiments, D1, D21 , D 22 , D3, D 41 , and D 42 each independently includes a substituted or unsubstituted aromatic heterocyclic ring group including a substituted or unsubstituted aromatic heterocyclic ring group having a ring atom number of C5 to C15, the ring atom of the substituted or unsubstituted aromatic heterocyclic ring group having a ring atom number of C5 to C15 further including one or more atoms of nitrogen, oxygen, and sulfur.

[0066] In some embodiments, the ring atom of the substituted or unsubstituted aromatic heterocyclic ring group having a ring atom number of C5 to C15 includes a nitrogen atom, and the substituted or unsubstituted aromatic heterocyclic ring group having a ring atom number of C5 to C15 includes one or more of a substituted or unsubstituted formula G 2-1 to a substituted or unsubstituted formula G 2-9 ,

[0067] In the formula, * indicates a connection site of one of D1, D 21 , D3, and D 41 to the hole extraction group;

[0068] # indicates a connection site of one of D1, D 22 , D3, and D 42 to the oxygen-containing group.

[0069] In some embodiments, the ring atom of the substituted or unsubstituted aromatic heterocyclic ring group having a ring atom number of C5 to C15 includes an oxygen atom, and the substituted or unsubstituted aromatic heterocyclic ring group having a ring atom number of C5 to C15 includes one or more of a substituted or unsubstituted formula G 3-1 to a substituted or unsubstituted formula G 3-3 ,

[0070] In the formula, * indicates a connection site of one of D1, D 21 , D3, and D 41 to the hole extraction group;

[0071] # indicates a connection site of one of D1, D 22 , D3, and D 42 to the oxygen-containing group.

[0072] In some embodiments, the substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes a ring atom including one or more of nitrogen, oxygen, and sulfur, and the substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes one or more of a substituted or unsubstituted formula G 4-1 to a substituted or unsubstituted formula G 4-3 one or more of the structures shown,

[0073] wherein * indicates a connection site of one of D1, D 21 , D3, and D 41 to the hole extraction group;

[0074] # indicates a connection site of one of D1, D 22 , D3, and D 42 to the oxygen-containing group.

[0075] In some embodiments, the substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes a ring atom including one or more of nitrogen, oxygen, and sulfur, and the substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes one or more of a substituted or unsubstituted formula G 5-1 to a substituted or unsubstituted formula G 5-7 one or more of the structures shown,

[0076] wherein

[0077] * indicates a connection site of one of D1, D 21 , D3, and D 41 to the hole extraction group;

[0078] # indicates a connection site of one of D1, D 22 , D3, and D 42 to the oxygen-containing group.

[0079] In some embodiments, D1, D 21 , D 22 , D3, and D 41 , and D 42 each independently include a substituted or unsubstituted alkenylene group including a substituted or unsubstituted C2 to C6 chain alkenylene group, or a substituted or unsubstituted cyclic alkenylene group having a ring atom number of C5 to C15, and in the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0080] In some embodiments, the substituted or unsubstituted C2 to C6 chain alkenylene group comprises a vinylene group, a propenylene group, or a butenylene group.

[0081] In some embodiments, the oxygen-containing group comprises one or more of a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a boronic acid group, a carboxylate group, a phosphonate group, a boronate group, a carboxylate radical, a phosphonate radical, a boronate radical, or a silicate radical. The anchoring of the oxygen-containing group to one of the hole transport layer and the first electrode can improve the binding of the self-assembled molecule to the hole transport layer and improve the stability of the device.

[0082] In some embodiments, the oxygen-containing group comprises one or more of a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a boronic acid group, a carboxylate group, a phosphonate group, a boronate group, a carboxylate radical, a phosphonate radical, a boronate radical, or a silicate radical.

[0083] In some embodiments, the self-assembled molecule comprises one or more of a compound represented by Formula I1-1 to a compound represented by Formula I4-2,

[0084] In some embodiments, the functional layer is disposed on the first electrode and in contact with at least a portion of the surface of the first electrode. The functional layer can effectively extract and transport holes, thereby improving the photoelectric conversion efficiency of the perovskite solar cell.

[0085] In some embodiments, the thickness of the functional layer is 1 nm to 30 nm. When the thickness of the functional layer is within the above range, the functional layer can effectively transport holes, thereby improving the photoelectric conversion efficiency of the device.

[0086] In some embodiments, the perovskite solar cell further comprises a hole transport layer, and the functional layer is disposed between the hole transport layer and the perovskite light-absorbing layer. The functional layer can effectively passivate defects of the perovskite light-absorbing layer, thereby further improving the photoelectric conversion efficiency of the device.

[0087] In some embodiments, the thickness of the functional layer is 0.1 nm to 20 nm. When the thickness of the functional layer is within the above range, the functional layer can effectively passivate defects of the perovskite light-absorbing layer, thereby further improving the photoelectric conversion efficiency of the device.

[0088] In some embodiments, the hole transport layer comprises a hole transport material, the hole transport material comprises a hole transport organic material, the hole transport organic material comprises one or more of poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine], poly(3,4-ethylenedioxythiophene)-polystyrene sulfonic acid, 2,2',7,7'-tetra[N,N-bis(4-methoxyphenyl)amino]-9,9'-spirobifluorene, poly-3-hexylthiophene, methoxytriphenylamine-fluoroguanidines, triptycene-core triphenylamine, 3,4-ethylenedioxythiophene-methoxytriphenylamine, N-4-anilino carbazole-spirobifluorene, polythiophene, phosphonic acid-based monomer, carboxylic acid-based monomer, carbazolyl-based monomer, sulfonic acid-based monomer, triphenylamine-based monomer, aromatic-based monomer; and / or the hole transport layer comprises a hole transport inorganic material, the hole transport inorganic material comprises one or more of metal oxide, cuprous iodide, and cuprous thiocyanate. Thus, the hole transport material described above has excellent hole extraction and transport capability in the embodiments of the present application, which is beneficial to improve the photoelectric conversion efficiency of the perovskite solar cell.

[0089] In some embodiments, the perovskite light-absorbing layer comprises a perovskite material, the perovskite material comprises one or more of a compound with a molecular formula of ABX3 or M2CDN6, A and M each independently comprises one or more of Li + , Na + , K + , Rb + , Cs + , methylamine cation, ethylamine cation, propylamine cation, butylamine cation, pentylamine cation, hexylamine cation, formamidinium cation, or imidazolium cation; B comprises one or more of Ca 2+ , Sr 2+ , Cd 2+ , Cu 2+ , Ni 2+ , Mn 2+ , Fe 2+ , Co 2+ , Pd 2+ , Ge 2+ , Sn 2+ , Pb 2+ , Yb 2+ , and Eu 2+ ; X and N each independently comprises one or more of F - , Cl - , Br - , or I - ; C comprises one or more of Cs + , Ag + , K + , or Ru + ; D comprises Bi 3+one or more of Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Si, Se, Te, As, Be, Mg, Ca, Sr, Ba, Ni, Fe, Co, Ru, Rh, Pd, Os, Ir, Pt, Re, Cr, Mo, W, Mn, Ti, V, Zr, Hf, Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Cu. 3+ one or more of Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Si, Se, Te, As, Be, Mg, Ca, Sr, Ba, Ni, Fe, Co, Ru, Rh, Pd, Os, Ir, Pt, Re, Cr, Mo, W, Mn, Ti, V, Zr, Hf, Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Cu. 3+ one or more of Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Si, Se, Te, As, Be, Mg, Ca, Sr, Ba, Ni, Fe, Co, Ru, Rh, Pd, Os, Ir, Pt, Re, Cr, Mo, W, Mn, Ti, V, Zr, Hf, Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Cu. 3+ one or more of Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Si, Se, Te, As, Be, Mg, Ca, Sr, Ba, Ni, Fe, Co, Ru, Rh, Pd, Os, Ir, Pt, Re, Cr, Mo, W, Mn, Ti, V, Zr, Hf, Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Cu. 3+ one or more of Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Si, Se, Te, As, Be, Mg, Ca, Sr, Ba, Ni, Fe, Co, Ru, Rh, Pd, Os, Ir, Pt, Re, Cr, Mo, W, Mn, Ti, V, Zr, Hf, Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Cu. 3+ one or more of Al, Ga, In, Tl, Ge, Sn, Pb, Sb, Bi, Si, Se, Te, As, Be, Mg, Ca, Sr, Ba, Ni, Fe, Co, Ru, Rh, Pd, Os, Ir, Pt, Re, Cr, Mo, W, Mn, Ti, V, Zr, Hf, Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, and Cu.

[0090] In some embodiments, the perovskite solar cell further comprises an electron transport layer between the perovskite light-absorbing layer and the second electrode. The electron transport layer can improve the transport ability of electrons, which is beneficial to improve the photoelectric conversion efficiency of the perovskite solar cell.

[0091] In a second aspect, the present application further provides a photovoltaic module comprising one or more perovskite solar cells according to any embodiment of the first aspect of the present application.

[0092] In a third aspect, the present application further provides a power generation device comprising a photovoltaic module according to any embodiment of the second aspect of the present application.

[0093] In a fourth aspect, the present application further provides a power consumption device comprising a photovoltaic module according to any embodiment of the second aspect of the present application.

[0094] In a fifth aspect, the present application further provides a self-assembled molecule comprising a structural formula as shown in formula I1,

[0095] In formula I1, Ar1 represents a hole extraction group with a ring atom number of C10 to C30;

[0096] D1 comprises a substituted or unsubstituted heteroaromatic ring group, or a substituted or unsubstituted alkenyl group;

[0097] E1 represents an oxygen-containing group;

[0098] n1 represents the number of connection sites of D1 and Ar1, and n1 is any positive integer from 1 to 8.

[0099] In a sixth aspect, the present application further provides a self-assembled molecule comprising a structural formula as shown in formula I2,

[0100] In formula I2, Ar2 represents a hole extraction group with a ring atom number of C10 to C30;

[0101] D 21 and one of D 22 comprises a substituted or unsubstituted arene group, or a substituted or unsubstituted heteroaromatic ring group; D 21 and one of D 22another includes a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenyl group;

[0102] E2 represents an oxygen-containing group;

[0103] n2 represents D 21 and the number of connection sites of Ar2, n2 is any positive integer from 1 to 8.

[0104] In a seventh aspect, the present application further provides a self-assembled molecule, which comprises a structural formula shown in formula I3,

[0105] In formula I3, Ar3 represents a hole extraction group with ring atom number being C31 to C60;

[0106] D3 includes a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenyl group;

[0107] E3 represents an oxygen-containing group;

[0108] n3 represents the number of connection sites of D3 and Ar3, n3 is any positive integer from 2 to 8.

[0109] In an eighth aspect, the present application further provides a self-assembled molecule, which comprises a structural formula shown in formula I4,

[0110] In formula I4, Ar4 represents a hole extraction group with ring atom number being C31 to C60;

[0111] D 41 and D 42 each independently includes a substituted or unsubstituted aromatic hydrocarbon group, a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenyl group;

[0112] n4 represents D 41 and the number of connection sites of Ar4, n4 is any positive integer from 2 to 8.

[0113] E4 represents an oxygen-containing group. BRIEF DESCRIPTION OF DRAWINGS

[0114] In order to more clearly illustrate the technical solutions of the embodiments of the present application, the drawings needed to be used in the embodiments of the present application will be briefly introduced as follows. Obviously, the drawings described below are only some embodiments of the present application, and other drawings can be obtained by those skilled in the art without creative labor on the basis of the drawings.

[0115] FIG. 1 is a structural schematic diagram of a perovskite solar cell provided by some embodiments of the present application;

[0116] Fig. 2 is a structural schematic diagram of a perovskite solar cell according to some embodiments of the present application;

[0117] Fig. 3 is a structural schematic diagram of a perovskite solar cell according to some embodiments of the present application;

[0118] Fig. 4 is a structural schematic diagram of a perovskite solar cell according to some embodiments of the present application;

[0119] Fig. 5 is a structural schematic diagram of a perovskite solar cell according to some embodiments of the present application;

[0120] Fig. 6 is a structural schematic diagram of a perovskite solar cell according to some embodiments of the present application;

[0121] Fig. 7 is a structural schematic diagram of a photovoltaic module according to some embodiments of the present application;

[0122] Fig. 8 is a structural schematic diagram of an electrical device according to some embodiments of the present application;

[0123] Fig. 9 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I1-2 in the present application;

[0124] Fig. 10 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I1-3 in the present application;

[0125] Fig. 11 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I2-1 in the present application;

[0126] Fig. 12 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I2-3 in the present application;

[0127] Fig. 13 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I3-2 in the present application;

[0128] Fig. 14 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I3-1 in the present application;

[0129] Fig. 15 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I4-1 in the present application;

[0130] Fig. 16 is a nuclear magnetic resonance spectrum diagram of a compound represented by Formula I4-2 in the present application;

[0131] In the drawings, the drawings are not necessarily drawn according to the actual scale.

[0132] In the drawings, various reference signs are used:

[0133] M, thickness direction; 10, perovskite solar cell; 11, first electrode; 12, functional layer;

[0134] 13. a hole transport layer;

[0135] 14. a perovskite light absorbing layer;

[0136] 15. an electron transport layer;

[0137] 16. a second electrode;

[0138] 1. a photovoltaic module;

[0139] 2. an electric device. DETAILED DESCRIPTION

[0140] Hereinafter, specific embodiments of the self-assembled molecules, perovskite solar cells, photovoltaic modules, power generation devices, and electric devices of the present application are described in detail with appropriate reference to the accompanying drawings. However, there will be cases where unnecessary detailed description is omitted. For example, there will be cases where detailed description of matters that are well known, repeated description of substantially identical structures are omitted. This is to avoid the following description becoming unnecessarily lengthy and to facilitate understanding by those skilled in the art. In addition, the accompanying drawings and the following description are provided so that those skilled in the art can fully understand the present application, and are not intended to limit the subject matter recited in the claims.

[0141] The ranges disclosed in the present application are defined in the form of lower and upper limits, and a given range is defined by selecting one lower limit and one upper limit, and the selected lower limit and upper limit define the boundaries of a particular range. The ranges defined in this way can include or exclude the end values, and can be arbitrarily combined, i.e., any lower limit can be combined with any upper limit to form a range. For example, if ranges of 60 to 120 and 80 to 110 are listed for a particular parameter, it is understood that ranges of 60 to 110 and 80 to 120 are also contemplated. In addition, if a minimum range value of 1 and 2 is listed, and if a maximum range value of 3, 4, and 5 is listed, the following ranges are all contemplated: 1 to 3, 1 to 4, 1 to 5, 2 to 3, 2 to 4, and 2 to 5. In the present application, unless otherwise specified, a numerical range "a to b" represents a shorthand manner of describing any integer combination of real numbers between a and b, where a and b are both real numbers. For example, the numerical range "0 to 5" means that all real numbers between "0 to 5" have been listed herein, and "0 to 5" is just a shorthand notation for these numerical combinations. In addition, when it is stated that a certain parameter is an integer ≥ 2, it is equivalent to disclose that the parameter is, for example, an integer of 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, etc.

[0142] Unless otherwise specified, all embodiments and optional embodiments of the present application can be combined with each other to form new technical solutions.

[0143] If there is no special indication, all the technical features of the present application and optional technical features can be combined with each other to form new technical solutions.

[0144] If there is no special indication, all the steps of the present application can be performed in sequence or randomly, preferably in sequence. For example, the method comprises steps (a) and (b), which means that the method can comprise steps (a) and (b) in sequence, or steps (b) and (a) in sequence. For example, it is mentioned that the method can further comprise step (c), which means that step (c) can be added to the method in any order. For example, the method can comprise steps (a), (b) and (c), or steps (a), (c) and (b), or steps (c), (a) and (b), etc.

[0145] The "multiple" appearing in the present application refers to two or more (including two).

[0146] The perovskite solar cell can convert solar energy into electrical energy, and its working process mainly includes: generation and separation of excitons, transport of free carriers, collection of carriers and generation of current. The specific process is as follows: in the perovskite solar cell, sunlight is absorbed by the perovskite light-absorbing layer, and the perovskite light-absorbing layer absorbs photons to generate excitons. Due to the low Coulomb force binding of the perovskite light-absorbing layer, the excitons are then separated into free electrons and holes. The separated free carriers are transported in the perovskite light-absorbing layer, and the electrons and holes are collected by the electrodes to form a current after connecting an external load.

[0147] In order to improve the extraction and transport efficiency of carriers, a hole transport layer can be arranged between the electrode and the perovskite light-absorbing layer, and a side reaction may occur between the perovskite light-absorbing layer and the hole transport layer, such as nickel trioxide leading to decomposition of the perovskite material. In the related art, a passivation material is usually used for passivation, but the intrinsic stability of the above-mentioned passivation material is poor, which leads to weakening of the passivation effect, and may worsen the stability and photoelectric conversion efficiency of the device.

[0148] In view of this, the embodiments of the present application further provide a self-assembled molecule (Self-Assembled Monolayer, abbreviated as SAM). The self-assembled molecule can spontaneously arrange and combine through intermolecular non-covalent interaction (such as hydrogen bond, van der Waals force, etc.), thereby forming a molecule with specific structure and function. The self-assembled molecule of the embodiments of the present application comprises a hole extraction group, which can effectively extract and transport holes, and the self-assembled molecule further comprises a conjugated group, etc., so that the electron cloud is distributed in the whole molecule, which can improve the conductivity of the self-assembled molecule and improve the intrinsic stability of the self-assembled molecule. When applied to a perovskite solar cell, it can improve the stability of the device and improve the photoelectric conversion efficiency.

[0149] Self-assembled molecule

[0150] In a first aspect, embodiments of the present application provide a self-assembled molecule.

[0151] The self-assembled molecule comprises a structural formula shown in Formula I1,

[0152] In Formula I1, Ar1 represents a hole extraction group with a ring atom number of C10 to C30;

[0153] D1 comprises a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group;

[0154] E1 represents an oxygen-containing group;

[0155] n1 represents the number of connection sites of D1 and Ar1, and n1 is any positive integer from 1 to 8.

[0156] The above-mentioned group included in D1 is a conjugated group, so that the self-assembled molecule comprises a hole extraction group, a conjugated group and an oxygen-containing group, the hole extraction group is connected to the oxygen-containing group through the conjugated group, which can improve the conjugation of the whole molecule, reduce the migration energy barrier of the carrier in the molecule, and improve the conductivity of the self-assembled molecule; and since the electron cloud is distributed in the whole molecule, the risk of decline in molecular stability caused by excessive local energy can be reduced, and the intrinsic stability of the self-assembled molecule can be improved.

[0157] In embodiments of the present application, the alkenylene group can be understood as a group losing two hydrogen atoms.

[0158] For example, the alkenylene group is an alkane group losing two hydrogen atoms of an alkane compound, and the alkyl group is an alkane group losing one hydrogen atom.

[0159] For example, the heteroalkylene group is a heteroalkane group losing two hydrogen atoms of a heteroalkane, and the heteroalkyl group is a heteroalkane group losing one hydrogen atom. The heteroalkane can include an alkane compound containing at least one heteroatom of O, S, N, P, such as ether, sulfide, etc.

[0160] For example, the arylene group is an aromatic group formed by losing two hydrogen atoms of an aromatic compound, and the aromatic group is an aromatic group losing one hydrogen atom. The aromatic compound refers to a compound having aromatic properties, such as aromatic hydrocarbons, aromatic heterocyclic compounds, etc., the aromatic hydrocarbons include benzene, biphenyl, fluorene, etc., and the aromatic heterocyclic compounds include carbazole, thiophene, furan or benzothiophene, etc.

[0161] For example, the heterocyclyl group is a heterocyclic group in which two hydrogen atoms are lost from a heterocyclic compound, and the heterocyclyl group is a heterocyclic group in which one hydrogen atom is lost. The heterocyclic compound can include a heterocyclic compound containing at least one heteroatom of O, S, N, P, such as oxirane, oxolane, phospholane, etc.

[0162] For example, the alkenylene group is an olefin group in which two hydrogen atoms are lost from an olefin compound, and the alkenyl group is an olefin group in which one hydrogen atom is lost.

[0163] n1 is any positive integer from 1 to 8, n1 can be 1, or greater than or equal to 2, such as 2, 3, 4, 5, 6, 7, or 8.

[0164] In the case of n1 being 1, one hydrogen atom in the hole extraction group is replaced by the conjugated group, and the structure of the self-assembled molecule is as follows:

[0165] In the case of n1 being greater than or equal to 2, at least two hydrogen atoms in the hole extraction group are replaced by the conjugated group, and the structure of the self-assembled molecule is as follows, taking the case of n1 being 3 as an example:

[0166] [hole extraction group]

[0167] In some embodiments, the hole extraction group having a ring-forming atom number of C10 to C30 includes a substituted or unsubstituted aniline group having a ring-forming atom number of C10 to C30, a substituted or unsubstituted acridine group having a ring-forming atom number of C10 to C30, in the case of the above-mentioned groups being substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group, and the number of carbon atoms in the substituent group can be 1 to 5.

[0168] Optionally, the oxygen-containing substituent group includes one or more of an alkoxy group, an amide group, a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boric acid group, a carboxylic acid ester group, a phosphoric acid ester group, a sulfonic acid ester group, a silicic acid ester group, a boric acid ester group, a carboxylate group, a phosphite group, a phosphate group, a borate group, or a silicate group.

[0169] In some embodiments, the hole extraction group having a ring-forming atom number of C10 to C30 includes a substituted or unsubstituted aniline group having a ring-forming atom number of C10 to C30.

[0170] In the case of the aniline group, especially the triphenylamine group, as the hole extraction group when the self-assembled molecule is applied to a perovskite solar cell, it is beneficial to the extraction and transport of holes. On the basis of the above-mentioned hole extraction group, the conjugated group is beneficial to improving the overall conjugation of the molecule, reducing the migration energy barrier of the carrier in the molecule, and improving the conductivity of the self-assembled molecule.

[0171] Optionally, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes one or more of a substituted or unsubstituted structure of Formula A1,

[0172] In Formula A1,

[0173] M 11 and M 12 each independently includes a substituted or unsubstituted aromatic group having a ring-forming atom number of C5 to C15;

[0174] M 13 includes a substituted or unsubstituted aromatic group having a ring-forming atom number of C5 to C15;

[0175] In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0176] Exemplarily, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes one or more of a substituted or unsubstituted structure of Formula A 1-1 to a substituted or unsubstituted structure of Formula A 1-5 ,

[0177] In the formula,

[0178] * indicates a connection site of the hole extraction group and the conjugated group,

[0179] s1, s2, s3, and s4 are any integer from 0 to 3, and in the same structural formula, s1, s2, s3, and s4 are not simultaneously 0, which can be understood as at least one of s1, s2, s3, and s4 is not 0, for example, in the case where s1 to s3 are 0, s4 is a positive integer; of course, at least two of s1, s2, s3, and s4 can not be 0, or all of s1, s2, s3, and s4 can not be 0, and all are positive integers.

[0180] The connection site of the hole extraction group and the conjugated group can be any position, in other words, any carbon of the benzene ring in the aniline-based hole extraction group can be connected to the conjugated group.

[0181] Exemplarily, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes one or more of a substituted or unsubstituted structure of Formula A 1-11 to a substituted or unsubstituted structure of Formula A 1-17 ,

[0182] The above structure can be substituted or unsubstituted, and in the case of being substituted, the substituent group is exemplified by a substituted formula A 1-5 The structure shown includes one or more of the following structural formulas,

[0183] Ar1, Ar2, Ar3, and Ar4 each independently represent a hydrogen atom or the substituent group, and at least one of Ar1, Ar2, Ar3, and Ar4 is the substituent group. In other words, in the case where Ar1, Ar2, Ar3, and Ar4 each independently are not a hydrogen atom, Ar1, Ar2, Ar3, and Ar4 each independently substitute any hydrogen atom on the aromatic ring or the arylene ring. The substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or an alkyl group, for example.

[0184] For example, Ar1, Ar3, and Ar4 are fluorine atoms, Ar2 is a hydrogen atom, and the substituted formula A 1-5 The structure shown includes one or more of the following structural formulas,

[0185] In some embodiments, the hole extraction group includes a substituted or unsubstituted acridine group having a ring-forming atom number of C10 to C30. When the self-assembled molecule is applied to a perovskite solar cell, the above hole extraction group is advantageous for the extraction and transport of holes. On the basis of the above hole extraction group, the conjugated group is advantageous for improving the conjugation of the entire molecule, reducing the migration energy barrier of the carrier within the molecule, and improving the conductivity of the self-assembled molecule.

[0186] Optionally, the substituted or unsubstituted acridine group having a ring-forming atom number of C10 to C30 includes a structure shown in formula A2,

[0187] In formula A2,

[0188] M 21 includes a single bond, a substituted or unsubstituted arylene group having a ring-forming atom number of C6 to C15, or a substituted or unsubstituted heteroarylene group having a ring-forming atom number of C5 to C15;

[0189] M 22 and M 23 each independently includes a substituted or unsubstituted aryl group having a ring-forming atom number of C6 to C15, or a substituted or unsubstituted heteroaryl group having a ring-forming atom number of C6 to C15;

[0190] In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0191] In M 21 In the case of a single bond, it is understood that the carbon atom at this position is directly connected to the conjugated group.

[0192] Exemplarily, the substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30 includes a substituted or unsubstituted formula A 2-1 to a substituted or unsubstituted formula A 2-3 one or more of the structures shown,

[0193] In the formula,

[0194] * indicates the connection site of the hole extraction group to the conjugated group.

[0195] s1, s2 are any integer from 0 to 3, and in the same structural formula, s1, s2 are not simultaneously 0.

[0196] Optionally, the substituted or unsubstituted acridine-based group includes a substituted or unsubstituted formula A 2-11 to a substituted or unsubstituted formula A 2-13 one or more of the structures shown,

[0197] In the formula, * indicates the connection site of the hole extraction group to the conjugated group.

[0198] The above structure can be substituted or unsubstituted, and in the case of being substituted, exemplarily, the substituted formula A 2-1 The structure shown includes one or more of the following structural formulas,

[0199] Ar1, Ar2, and Ar3 each independently represent a hydrogen atom or the substituted group, and at least one of Ar1, Ar2, and Ar3 is the substituted group. In other words, in the case where Ar1, Ar2, and Ar3 each independently are not a hydrogen atom, Ar1, Ar2, and Ar3 each independently substitute any hydrogen atom on the aromatic ring or the aralkyl ring. For example, the substituted group includes one or more of an amine-based group, a halogen-based group, an alkylthio group, an oxygen-containing substituted group, or an alkyl group.

[0200] For example, Ar1, Ar3 are carboxylate groups, and Ar2 is a hydrogen atom, the substituted A 2-1 The structure shown includes one or more of the following structural formulas,

[0201] In each of the above embodiments, the aromatic group is a group having an aromatic function.

[0202] The substituted or unsubstituted aromatic group having 5 to 15 ring-forming atoms can include a substituted or unsubstituted aromatic hydrocarbon group having 6 to 15 ring-forming atoms, or a substituted or unsubstituted aromatic heterocyclic group having 6 to 15 ring-forming atoms.

[0203] For example, the substituted or unsubstituted aromatic group having 5 to 15 ring-forming atoms is an aromatic group having 5 ring-forming atoms, an aromatic group having 6 ring-forming atoms, an aromatic group having 7 ring-forming atoms, an aromatic group having 8 ring-forming atoms, an aromatic group having 9 ring-forming atoms, an aromatic group having 10 ring-forming atoms, an aromatic group having 11 ring-forming atoms, an aromatic group having 12 ring-forming atoms, an aromatic group having 13 ring-forming atoms, an aromatic group having 14 ring-forming atoms, an aromatic group having 15 ring-forming atoms, or a range consisting of any two of the above.

[0204] Alkyl groups encompass straight-chain and branched-chain alkyl groups. For example, the alkyl group can be a C1 to C5 alkyl group, including methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, t-butyl, pentyl, and the like.

[0205] [Conjugated group]

[0206] D1 represents a conjugated group including a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenylene group.

[0207] In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Alternatively, the oxygen-containing substituent group includes one or more of an alkoxy group, an amide group, a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boronic acid group, a carboxylate group, a phosphate group, a sulfonate group, a silicate group, a borate group, a carboxylate group, a phosphite group, a phosphate group, a borate group, or a silicate group.

[0208] In some embodiments, D1 includes a substituted or unsubstituted aromatic heterocyclic group. The above group has relatively high stability, which can further improve the intrinsic stability of the self-assembled molecule.

[0209] Alternatively, the substituted or unsubstituted aromatic heterocyclic group includes a substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms, and the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms further include one or more of nitrogen, oxygen, and sulfur.

[0210] Further alternatively, the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms include a nitrogen atom. Further alternatively, the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms include a nitrogen atom.

[0211] Exemplarily, the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 2-1 the structure shown includes one or more of the following structures, 2-9 the structure shown includes one or more of the following structures,

[0212] in the formula,

[0213] * indicates a connection site of the conjugated group to the hole extraction group;

[0214] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0215] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0216] Exemplarily, the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 2-1 the structure shown includes one or more of the following structures,

[0217] Further optionally, the ring-forming atoms in the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms include sulfur atoms.

[0218] Exemplarily, the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 3-1 the structure shown includes one or more of the following structures, 3-3 the structure shown includes one or more of the following structures,

[0219] in the formula,

[0220] * indicates a connection site of the conjugated group to the hole extraction group;

[0221] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0222] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0223] Exemplarily, the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 3-1 the structure shown includes one or more of the following structures,

[0224] Further optionally, the ring-forming atoms in the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms include sulfur atoms.

[0225] Exemplarily, the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 4-1 the structure shown to a substituted or unsubstituted formula G 4-3 one or more of the structures shown,

[0226] in the formula,

[0227] * indicates a connection site of the conjugated group to the hole extraction group;

[0228] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0229] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0230] For example, the formula G 4-1 the structure shown includes one or more of the following structures,

[0231] Further optionally, the ring-forming atoms in the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms include multiple atoms selected from nitrogen, oxygen, and sulfur.

[0232] Exemplarily, the substituted or unsubstituted heteroaromatic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 5-1 the structure shown to a substituted or unsubstituted formula G 5-7 one or more of the structures shown,

[0233] in the formula,

[0234] * indicates a connection site of the conjugated group to the hole extraction group;

[0235] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0236] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0237] For example, the formula G 5-1 the structure shown includes one or more of the following structures,

[0238] In some embodiments, the conjugated group comprises a substituted or unsubstituted alkenylene group, optionally, the substituted or unsubstituted alkenylene group comprises a substituted or unsubstituted C2 to C6 chain alkenylene group, or a substituted or unsubstituted cyclic alkenylene group having a ring atom number of C5 to C15, and in the case that the above-mentioned group is substituted, the substituent group comprises one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0239] Optionally, the substituted or unsubstituted C2 to C6 chain alkenylene group comprises a vinylidene group, a propenylene group, or a butenylene group.

[0240] [Oxygen-containing group]

[0241] One of the hole transport layer and the first electrode has an anchoring effect with the oxygen-containing group, which can improve the binding force between the self-assembled molecule and the hole transport layer, and improve the stability of the device.

[0242] In some embodiments, the oxygen-containing group comprises one or more of a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boric acid group, a carboxylate group, a phosphonate group, a sulfonate group, a silicate group, a borate group, a carboxylate group, a phosphonate group, a borate group, or a silicate group.

[0243] Optionally, the oxygen-containing group comprises one or more of a carboxylic acid group, a phosphoric acid group, a boric acid group, a carboxylate group, a phosphonate group, a borate group.

[0244] Exemplarily, the self-assembled molecule comprises one or more of a compound represented by Formula I1-1 to a compound represented by Formula I1-4,

[0245] Self-assembled molecule

[0246] In a second aspect, the embodiments of the present application provide a self-assembled molecule.

[0247] The self-assembled molecule comprises a structural formula represented by Formula I2,

[0248] In Formula I2,

[0249] Ar2 represents a hole extraction group having a ring atom number of C10 to C30;

[0250] D 21 and D 22 all represent a conjugated group, D 21 and D 22 one of which comprises a substituted or unsubstituted aralkylene group, or a substituted or unsubstituted heteroaromatic ring group; D 21 and D 22another includes a substituted or unsubstituted heteroaromatic group, or a substituted or unsubstituted alkenyl group;

[0251] E2 represents an oxygen-containing group;

[0252] n2 represents a positive integer of any one of 1 to 8; 21 and the number of connection sites of Ar2, n2 is a positive integer of any one of 1 to 8;

[0253] The self-assembled molecule includes a hole extraction group, a conjugated group and an oxygen-containing group, the hole extraction group is connected to the oxygen-containing group through the conjugated group, which can improve the conjugation of the whole molecule, reduce the migration energy barrier of the carrier in the molecule, and improve the conductivity of the self-assembled molecule; and because the electron cloud is distributed in the whole molecule, the problem of decline of molecular stability caused by too high local energy can be reduced, and the intrinsic stability of the self-assembled molecule is improved.

[0254] n2 is a positive integer of any one of 1 to 8, n2 can be 1, or greater than or equal to 2, for example, 2, 3, 4, 5, 6, 7 or 8.

[0255] In the case of n2 being 1, one hydrogen atom in the hole extraction group is substituted by the conjugated group, and the structural formula of the self-assembled molecule is as follows:

[0256] In the case of n2 being greater than or equal to 2, at least two hydrogen atoms in the hole extraction group are substituted by the conjugated group, and the structural formula of the self-assembled molecule is as follows:

[0257] [hole extraction group]

[0258] In some embodiments, the hole extraction group with a ring atom number of C10 to C30 includes a substituted or unsubstituted aniline group with a ring atom number of C10 to C30, a substituted or unsubstituted acridine group with a ring atom number of C10 to C30, in the case of the above-mentioned group being substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group or a C1 to C5 alkyl group, and the number of carbon atoms in the substituent group can be 1 to 5.

[0259] Optionally, the oxygen-containing substituent group includes one or more of an alkoxy group, an amide group, a carboxylic acid group, a phosphite group, a phosphate group, a sulfonic acid group, a silicic acid group, a siloxane group, a boronic acid group, a carboxylate group, a phosphate group, a sulfonate group, a silicate group, a borate group, a carboxylate group, a phosphite group, a phosphate group, a borate group or a silicate group.

[0260] In some embodiments, the hole extraction group with a ring atom number of C10 to C30 includes a substituted or unsubstituted aniline group with a ring atom number of C10 to C30.

[0261] When the self-assembled molecule is applied to a perovskite solar cell, the hole extraction group is beneficial to the extraction and transport of holes. On the basis of the hole extraction group, the conjugated group is beneficial to improving the conjugation of the whole molecule, reducing the migration energy barrier of the carrier in the molecule, and improving the conductivity of the self-assembled molecule.

[0262] Optionally, the substituted or unsubstituted aniline group having a ring-forming atom number of C10 to C30 includes one or more of structures represented by formula A1,

[0263] In formula A1,

[0264] M 11 and M 12 Each independently includes a substituted or unsubstituted aromatic group having a ring-forming atom number of C5 to C15;

[0265] M 13 includes a substituted or unsubstituted aromatic group having a ring-forming atom number of C5 to C15;

[0266] When the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0267] Exemplarily, the substituted or unsubstituted aniline group having a ring-forming atom number of C10 to C30 includes one or more of a substituted or unsubstituted formula A 1-1 to a substituted or unsubstituted formula A 1-5 ,

[0268] In the formula,

[0269] * indicates a connection site of the hole extraction group and the conjugated group,

[0270] s1, s2, s3, and s4 are any integer from 0 to 3, and in the same structural formula, s1, s2, s3, and s4 are not simultaneously 0, which can be understood as at least one of s1, s2, s3, and s4 is not 0, for example, in the case of s1 to s3 being 0, s4 is a positive integer; of course, at least two of s1, s2, s3, and s4 can not be 0, or all of s1, s2, s3, and s4 can not be 0, and all are positive integers.

[0271] The connection site of the hole extraction group and the conjugated group can be any position, in other words, any carbon of the benzene ring in the aniline hole extraction group can be connected to the conjugated group.

[0272] For example, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes a substituted or unsubstituted formula A 1-11 the structure shown in one or more of the following structural formulas, 1-17 the structure shown in one or more of the following structural formulas,

[0273] The above structure can be substituted or unsubstituted, and in the case of being substituted, exemplarily, a substituted formula A 1-5 the structure shown in one or more of the following structural formulas,

[0274] Ar1, Ar2, Ar3, and Ar4 each independently represent a hydrogen atom or the substituent group, and at least one of Ar1, Ar2, Ar3, and Ar4 is the substituent group. In other words, in the case where Ar1, Ar2, Ar3, and Ar4 each independently are not a hydrogen atom, Ar1, Ar2, Ar3, and Ar4 each independently substitute any hydrogen atom on the aromatic ring or the arylene ring. For example, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or an alkyl group.

[0275] For example, Ar1, Ar3, and Ar4 are fluorine atoms, Ar2 is a hydrogen atom, a substituted formula A 1-5 the structure shown in one or more of the following structural formulas,

[0276] In some embodiments, the hole extraction group includes a substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30. When the self-assembled molecule is applied to a perovskite solar cell, the above hole extraction group is beneficial to the extraction and transport of holes. On the basis of the above hole extraction group, the conjugated group is beneficial to improving the conjugation of the whole molecule, reducing the migration energy barrier of the carrier in the molecule, and improving the conductivity of the self-assembled molecule.

[0277] Optionally, the substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30 includes a structure shown in formula A2,

[0278] In formula A2,

[0279] M 21 including a single bond, a substituted or unsubstituted C6 to C15 arylene hydrocarbon group, or a substituted or unsubstituted C5 to C15 arylene heterocyclic group having a ring-forming atom number of C5 to C15;

[0280] M 22 and M 23Each independently includes substituted or unsubstituted aromatic groups with a cyclic number of C6 to C15 or substituted or unsubstituted aromatic heterocyclic groups with a cyclic number of C6 to C15;

[0281] When the above groups are substituted, the substituted groups include one or more of amine groups, halogen groups, alkyl thio groups, oxygen-containing substituted groups, or C1 to C5 alkyl groups.

[0282] In M 21 In the case of a single bond, it can be understood that the carbon atom at that location is directly connected to the conjugated group.

[0283] For example, the substituted or unsubstituted acridine group having a cyclic atom number of C10 to C30 includes substituted or unsubstituted formula A. 2-1 The structure shown is used for substituted or unsubstituted formula A. 2-3 One or more of the structures shown,

[0284] In the formula,

[0285] * indicates the connection site between the hole extraction group and the conjugated group;

[0286] s1 and s2 are any integers from 0 to 3, and in the same structure, s1 and s2 are not both 0.

[0287] Optionally, the substituted or unsubstituted acridine group comprises a substituted or unsubstituted formula A. 2-11 The structure shown is used for substituted or unsubstituted formula A. 2-13 One or more of the structures shown,

[0288] In the formula, * represents the connection site between the hole extraction group and the conjugated group.

[0289] The above structure may or may not be replaced. In the case of replacement, for example, formula A is replaced. 2-1 The structure shown includes one or more of the following structural formulas:

[0290] Ar1, Ar2, and Ar3 each independently represent a hydrogen atom or a substituent group, and at least one of Ar1, Ar2, and Ar3 is a substituent group. In other words, when Ar1, Ar2, and Ar3 are each independently non-hydrogen atoms, Ar1, Ar2, and Ar3 each independently substitute for any hydrogen atom on the aromatic or dearomatic ring. For example, the substituent group includes one or more of amine groups, halogen groups, alkyl-thionyl groups, oxygen-containing substituent groups, or alkyl groups.

[0291] For example, Ar1, Ar3 is a carboxylate group, Ar2 is a hydrogen atom, substituted A 2-1 The structures shown include one or more of the following structural formulas,

[0292] In each of the above embodiments, the aromatic group is a group having an aromatic function.

[0293] The substituted or unsubstituted aromatic group having 5 to 15 ring-forming atoms can include a substituted or unsubstituted aromatic hydrocarbon group having 6 to 15 ring-forming atoms, or a substituted or unsubstituted aromatic heterocyclic group having 6 to 15 ring-forming atoms.

[0294] For example, the substituted or unsubstituted aromatic group having 5 to 15 ring-forming atoms is an aromatic group having 5 ring-forming atoms, an aromatic group having 6 ring-forming atoms, an aromatic group having 7 ring-forming atoms, an aromatic group having 8 ring-forming atoms, an aromatic group having 9 ring-forming atoms, an aromatic group having 10 ring-forming atoms, an aromatic group having 11 ring-forming atoms, an aromatic group having 12 ring-forming atoms, an aromatic group having 13 ring-forming atoms, an aromatic group having 14 ring-forming atoms, an aromatic group having 15 ring-forming atoms, or a range consisting of any two of the above.

[0295] Alkyl groups encompass straight-chain and branched-chain alkyl groups. For example, the alkyl group can be a C1 to C5 alkyl group, including methyl, ethyl, propyl, isopropyl, butyl, isobutyl, sec-butyl, t-butyl, pentyl, and the like.

[0296] [Conjugated group]

[0297] D 21 and D 22 each represent a conjugated group, D 21 and D 22 one of which includes a substituted or unsubstituted arylene group, or a substituted or unsubstituted aromatic heterocyclic group; D 21 and D 22 the other of which includes a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenylene group.

[0298] In the case where the above groups are substituted, the substituent groups include one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Alternatively, the oxygen-containing substituent group includes one or more of an alkoxy group, an amide group, a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boronic acid group, a carboxylate group, a phosphate group, a sulfonate group, a silicate group, a borate group, a carboxylate group, a phosphite group, a phosphate group, a borate group, or a silicate group.

[0299] Alternatively, D21 and D 22 one of them comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group; D 21 and D 22 the other of them comprises a substituted or unsubstituted heteroarylene group. The above groups are more stable, and can further improve the intrinsic stability of the self-assembled molecules.

[0300] The self-assembled molecules comprise two conjugated groups, which can further improve the conjugation of the whole molecule, reduce the migration energy barrier of the carriers in the molecule, and improve the conductivity of the self-assembled molecules; and because the electron cloud is distributed in the whole molecule, the problem of decreased molecular stability caused by excessively high local energy can be reduced, and the intrinsic stability of the self-assembled molecules is improved.

[0301] In some embodiments, D 21 comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group; D 22 comprises a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group.

[0302] Optionally, D 21 comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group; D 22 comprises a substituted or unsubstituted heteroarylene group.

[0303] In other embodiments, D 22 comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group; D 21 comprises a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group.

[0304] Optionally, D 22 comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group; D 21 comprises a substituted or unsubstituted heteroarylene group.

[0305] Optionally, the substituted or unsubstituted arylene group comprises a substituted or unsubstituted arylene group having a ring-forming atom number of C6 to C15. Further optionally, the substituted or unsubstituted arylene group having a ring-forming atom number of C6 to C15 comprises one or more of a substituted or unsubstituted structure of formula G 1-1 to a substituted or unsubstituted structure of formula G 1-3 to a substituted or unsubstituted structure of formula G

[0306] in which,

[0307] * indicates a connection site of the conjugated group to the hole-transporting group;

[0308] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0309] The connection site of the conjugated group to the hole-transporting group and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0310] For example, the substituted or unsubstituted arylene group of formula G 1-1 the structures include one or more of the following structures,

[0311] Optionally, the substituted or unsubstituted heteroarylene group of formula G

[0312] Further optionally, the substituted or unsubstituted heteroarylene group of formula G includes a nitrogen atom.

[0313] Illustratively, the substituted or unsubstituted heteroarylene group of formula G 2-1 the structures include one or more of the following structures, 2-9

[0314] wherein,

[0315] * indicates a connection site of the conjugated group to the hole-transporting group;

[0316] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0317] The connection site of the conjugated group to the hole-transporting group and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0318] For example, the substituted or unsubstituted arylene group of formula G 2-1 the structures include one or more of the following structures,

[0319] Further optionally, the substituted or unsubstituted heteroarylene group of formula G includes an oxygen atom.

[0320] ​Exemplarily, the substituted or unsubstituted heteroaromatic ring group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 3-1 one or more of the structures shown. 3-3 one or more of the structures shown.

[0321] in the formula,

[0322] * indicates a connection site of the conjugated group to the hole extraction group;

[0323] # indicates a connection site of the conjugated group to the oxygen-containing group;

[0324] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0325] For example, the formula G 3-1 includes one or more of the following structures,

[0326] Further optionally, the ring-forming atoms in the substituted or unsubstituted heteroaromatic ring group having 5 to 15 ring-forming atoms include sulfur atoms.

[0327] Exemplarily, the substituted or unsubstituted heteroaromatic ring group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 4-1 one or more of the structures shown. 4-3 one or more of the structures shown.

[0328] in the formula,

[0329] * indicates a connection site of the conjugated group to the hole extraction group;

[0330] # indicates a connection site of the conjugated group to the oxygen-containing group;

[0331] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0332] For example, the formula G 4-1 includes one or more of the following structures,

[0333] Further optionally, the ring-forming atoms in the substituted or unsubstituted heteroaromatic ring group having 5 to 15 ring-forming atoms include multiple atoms selected from nitrogen, oxygen, and sulfur.

[0334] Exemplarily, the substituted or unsubstituted heteroaromatic ring group having a ring-forming atom number of C5 to C15 includes a substituted or unsubstituted formula G 5-1 one or more of the structures shown, 5-7 one or more of the structures shown,

[0335] in the formula,

[0336] * indicates a connection site of the conjugated group to the hole extraction group;

[0337] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0338] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0339] For example, the formula G 5-1 includes one or more of the following structures,

[0340] In some embodiments, the conjugated group includes a substituted or unsubstituted alkenylene group, which optionally includes a substituted or unsubstituted C2 to C6 chain alkenylene group or a substituted or unsubstituted ring-forming atom number of C5 to C15 cyclic alkenylene group, and in the case of being substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group or a C1 to C5 alkyl group.

[0341] Optionally, the substituted or unsubstituted C2 to C6 chain alkenylene group includes a vinylene group, a propenylene group or a butenylene group.

[0342] [Oxygen-containing group]

[0343] One of the hole transport layer and the first electrode has an anchoring effect with the oxygen-containing group, which can improve the binding force of the self-assembled molecule with the hole transport layer and improve the stability of the device.

[0344] In some embodiments, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boric acid group, a carboxylate group, a phosphonate group, a sulfonate group, a silicate group, a borate group, a carboxylate, a phosphite, a phosphate, a borate or a silicate.

[0345] Optionally, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphoric acid group, a boric acid group, a carboxylate, a phosphate, a borate.

[0346] Exemplarily, the self-assembled molecule comprises one or more of a compound shown in formula I2-1 to a compound shown in formula I2-3,

[0347] self-assembled molecule

[0348] In a third aspect, the embodiments of the present application provide a self-assembled molecule.

[0349] The self-assembled molecule comprises a structural formula shown in formula I3,

[0350] In formula I3,

[0351] Ar3 represents a hole extraction group with a ring atom number of C31 to C60;

[0352] D3 represents a conjugated group comprising a substituted or unsubstituted arylene group, a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenyl group;

[0353] E3 represents an oxygen-containing group;

[0354] n3 represents a number of connection sites of D3 and Ar3, and n3 is any positive integer from 2 to 8.

[0355] The self-assembled molecule comprises a hole extraction group, a conjugated group, and an oxygen-containing group, the hole extraction group is connected to the oxygen-containing group through the conjugated group, which can improve the conjugation of the whole molecule, reduce the migration energy barrier of the carrier in the molecule, and improve the conductivity of the self-assembled molecule; and because the electron cloud is distributed in the whole molecule, the problem of decreased molecular stability caused by excessively high local energy can be reduced, and the intrinsic stability of the self-assembled molecule is improved.

[0356] Further, in the case that n3 is greater than or equal to 2, the number of connection sites of the oxygen-containing group and the adjacent layer is increased, which is beneficial to improve the binding energy of the functional layer and the adjacent layer and improve the stability of the device; and compared with the transmission ability of the electron, the transmission ability of the hole is weaker, which is easy to cause unbalanced transmission of the electron and the hole and reduce the performance of the device, and the multiple conjugated oxygen-containing groups in the embodiments of the present application can increase the transmission ability of the hole, so that the transmission abilities of the electron and the hole are matched, and the performance of the device is improved.

[0357] In the case that n3 is greater than or equal to 2, at least two hydrogen atoms in the hole extraction group are substituted by the conjugated group, and for examples that n3 is 2 or 3 respectively, the structural formula of the self-assembled molecule is as follows, wherein each branched chain independently comprises a substituted or unsubstituted arylene group, a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenyl group:

[0358] [hole extraction group]

[0359] In some embodiments, the hole-extracting group having 31 to 60 ring-forming atoms includes a substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms, or a substituted or unsubstituted aniline group having 31 to 60 ring-forming atoms, or the like;

[0360] Optionally, the hole-extracting group having 31 to 60 ring-forming atoms includes a substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms. When the self-assembled molecule is applied to a perovskite solar cell, the hole-extracting group described above is beneficial to the extraction and transport of holes. On the basis of the hole-extracting group described above, the conjugated group is beneficial to improving the conjugation of the whole molecule, reducing the migration energy barrier of the carriers in the molecule, and improving the conductivity of the self-assembled molecule.

[0361] When the group described above is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group, and the number of carbon atoms in the substituent group can be 1 to 5.

[0362] Optionally, the oxygen-containing substituent group includes one or more of an alkoxy group, an amide group, a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boric acid group, a carboxylic acid ester group, a phosphoric acid ester group, a sulfonic acid ester group, a silicic acid ester group, a boric acid ester group, a carboxylic acid radical, a phosphorous acid radical, a phosphoric acid radical, a boric acid radical, or a silicic acid radical.

[0363] Optionally, the substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes a structure represented by Formula B1,

[0364] In Formula B1,

[0365] S 20 includes a single bond, a substituted or unsubstituted C6 to C30 aralkylene group, or a substituted or unsubstituted C5 to C30 aromatic heterocyclic group having ring-forming atoms;

[0366] S 21 and S 22 each independently includes a substituted or unsubstituted C6 to C30 aralkyl group, or a substituted or unsubstituted C6 to C30 nitrogen-containing aromatic heterocyclic group having ring-forming atoms;

[0367] When the group described above is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group, and the number of carbon atoms in the substituent group can be 1 to 5.

[0368] In S 20In the case of a single bond, the nitrogen atom is directly connected to the conjugated group; in the case of a double bond, the nitrogen atom is directly connected to the conjugated group via S 20 In the case of a single bond, the nitrogen atom is directly connected to the conjugated group; in the case of a double bond, the nitrogen atom is directly connected to the conjugated group via S 20 In the case of a single bond, the nitrogen atom is directly connected to the conjugated group; in the case of a double bond, the nitrogen atom is directly connected to the conjugated group via S

[0369] Optionally,

[0370] The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae: 1-1 The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae: 1-6 The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae:

[0371] In the formulae,

[0372] * indicates a connection site of the hole-extracting group to the conjugated group;

[0373] s1, s2, s3, s4, s5, and s6 are each an integer of 0 to 3, and in the same structural formula, s1, s2, s3, s4, s5, and s6 are not simultaneously 0.

[0374] The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae: 1-11 The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae: 1-16 The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae:

[0375] In the formulae, * indicates a connection site of the hole-extracting group to the conjugated group.

[0376] The above structures can be substituted or unsubstituted, and in the case of being substituted, the substituted structural formulae include one or more of the structures represented by the following structural formulae: 1-1 The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae:

[0377] Ar1, Ar2, Ar3, and Ar4 each independently represent a hydrogen atom or the substituent group, and at least one of Ar1, Ar2, Ar3, and Ar4 is the substituent group; in other words, in the case where Ar1, Ar2, Ar3, and Ar4 each independently are not a hydrogen atom, Ar1, Ar2, Ar3, and Ar4 each independently substitute any hydrogen atom on an aromatic ring or an arylene group. For example, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or an alkyl group.

[0378] For example, Ar3 and Ar4 are a fluorine atom, the substituted structural formulae include one or more of the structures represented by the following structural formulae: 1-1 The substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes one or more of the structures represented by the following structural formulae:

[0379] Optionally, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C31 to C60 includes one or more of the following structures,

[0380] wherein * indicates a connection site of the hole-extracting group and the conjugated group;

[0381] s1, s2, s3, and s4 are any one of 0 to 3, and in the same structural formula, s1, s2, s3, and s4 are not simultaneously 0.

[0382] For example, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C31 to C60 includes one or more of the following structures,

[0383] [Conjugated group]

[0384] D3 indicates a conjugated group, which includes a substituted or unsubstituted arene group, a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenylene group.

[0385] In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Optionally, the oxygen-containing substituent group includes one or more of an alkoxy group, an amide group, a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boronic acid group, a carboxylate group, a phosphate group, a sulfonate group, a silicate group, a borate group, a carboxylate group, a phosphite group, a phosphate group, a borate group, or a silicate group.

[0386] Optionally, the conjugated group includes a substituted or unsubstituted arene group, a substituted or unsubstituted aromatic heterocyclic group; the above group is more stable, and can further improve the intrinsic stability of the self-assembled molecule.

[0387] Optionally, the substituted or unsubstituted arene group includes a substituted or unsubstituted arene group having a ring-forming atom number of C6 to C15.

[0388] Further optionally, the substituted or unsubstituted arene group having a ring-forming atom number of C6 to C15 includes one or more of the following structures of a substituted or unsubstituted formula G 1-1 1-3

[0389] wherein * indicates a connection site of the conjugated group and the hole-extracting group;

[0390] # indicates a connection site of the conjugated group and the oxygen-containing group. ​​

[0391] The connection site of the conjugated group to the hole-transporting group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0392] For example, the substituted or unsubstituted formula G 1-1 The structure shown includes one or more of the following structures,

[0393] Optionally, the substituted or unsubstituted aromatic heterocyclic group includes a substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms, and the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms further include one or more atoms selected from nitrogen, oxygen, and sulfur.

[0394] Further optionally, the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms include nitrogen atoms.

[0395] Illustratively, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 2-1 The structure shown includes one or more of the following structures, 2-9 The structure shown includes one or more of the following structures,

[0396] In the formula,

[0397] * indicates the connection site of the conjugated group to the hole-transporting group;

[0398] # indicates the connection site of the conjugated group to the oxygen-containing group.

[0399] The connection site of the conjugated group to the hole-transporting group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0400] For example, the substituted or unsubstituted formula G 2-1 The structure shown includes one or more of the following structures,

[0401] Further optionally, the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms include oxygen atoms.

[0402] Illustratively, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes a substituted or unsubstituted formula G 3-1 The structure shown includes one or more of the following structures, 3-3 The structure shown includes one or more of the following structures,

[0403] wherein,

[0404] * indicates a connection site of the conjugated group to the hole-transporting group;

[0405] # indicates a connection site of the conjugated group to the oxygen-containing group;

[0406] The connection site of the conjugated group to the hole-transporting group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0407] For example, the structure represented by formula G 3-1 includes one or more of the following structures,

[0408] Further optionally, the ring-forming atoms in the substituted or unsubstituted C5 to C15 aromatic heterocyclic group include a plurality of atoms selected from the group consisting of nitrogen, oxygen, and sulfur.

[0409] For example, the substituted or unsubstituted C5 to C15 aromatic heterocyclic group includes one or more of the following structures, 4-1 to a substituted or unsubstituted formula G 4-3 ,

[0410] wherein,

[0411] * indicates a connection site of the conjugated group to the hole-transporting group;

[0412] # indicates a connection site of the conjugated group to the oxygen-containing group;

[0413] The connection site of the conjugated group to the hole-transporting group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0414] For example, the structure represented by formula G 4-1 includes one or more of the following structures,

[0415] Further optionally, the ring-forming atoms in the substituted or unsubstituted C5 to C15 aromatic heterocyclic group include a plurality of atoms selected from the group consisting of nitrogen, oxygen, and sulfur.

[0416] For example, the substituted or unsubstituted C5 to C15 aromatic heterocyclic group includes one or more of the following structures, 5-1 to a substituted or unsubstituted formula G 5-7 ,

[0417] wherein,

[0418] * represents a connection site of the conjugated group to the hole extraction group;

[0419] # represents a connection site of the conjugated group to the oxygen-containing group.

[0420] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0421] For example, the structure represented by formula G 5-1 includes one or more of the following structures,

[0422] In some embodiments, the conjugated group includes a substituted or unsubstituted alkenylene group, which optionally includes a substituted or unsubstituted C2 to C6 chain alkenylene group, or a substituted or unsubstituted cyclic alkenylene group having a ring atom number of C5 to C15, and in the case of being substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0423] Optionally, the substituted or unsubstituted C2 to C6 chain alkenylene group includes a vinylene group, a propenylene group, or a butenylene group.

[0424] [Oxygen-containing group]

[0425] One of the hole transport layer and the first electrode has an anchoring effect with the oxygen-containing group, which can improve the binding force of the self-assembled molecule with the hole transport layer and improve the stability of the device.

[0426] In some embodiments, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boric acid group, a carboxylate group, a phosphonate group, a sulfonate group, a silicate group, a borate group, a carboxylate group, a phosphite group, a phosphate group, a borate group, or a silicate group.

[0427] Optionally, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphoric acid group, a boric acid group, a carboxylate group, a phosphate group, and a borate group.

[0428] For example, the self-assembled molecule includes one or more of a compound represented by formula I3-1 to a compound represented by formula I3-2,

[0429] Self-assembled molecule

[0430] In a fourth aspect, the embodiments of the present application provide a self-assembled molecule.

[0431] The self-assembled molecule comprises a structural formula shown in Formula I4,

[0432] In Formula I4,

[0433] Ar4 represents a cavity extraction group with a ring atom number of C31 to C60;

[0434] D 41 and D 42 each independently represent a conjugated group, D 41 and D 42 each independently comprise a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroaromatic ring group, or a substituted or unsubstituted alkenyl group;

[0435] n4 represents the number of connection sites of D 41 and Ar4, and n4 is any positive integer from 2 to 8;

[0436] E4 represents an oxygen-containing group.

[0437] The self-assembled molecule comprises a cavity extraction group, a conjugated group, and an oxygen-containing group, the cavity extraction group is connected to the oxygen-containing group through the conjugated group, which can improve the conjugation of the whole molecule, reduce the migration energy barrier of the carriers in the molecule, and improve the conductivity of the self-assembled molecule; and because the electron cloud is distributed in the whole molecule, the problem of decreased molecular stability caused by excessively high local energy can be reduced, and the intrinsic stability of the self-assembled molecule is improved.

[0438] Further, in the case where n4 is greater than or equal to 2, the number of connection sites of the oxygen-containing group to the adjacent layer is increased, which is beneficial to improving the binding energy of the functional layer to the adjacent layer and improving the stability of the device; and compared with the transmission ability of electrons, the transmission ability of holes is weaker, which can easily lead to unbalanced transmission of electrons and holes and reduced device performance, and the multiple conjugated oxygen-containing groups in the embodiment of the present application can increase the transmission ability of holes, so that the transmission abilities of electrons and holes are matched, and the device performance is improved.

[0439] In the case where n4 is greater than or equal to 2, at least two hydrogen atoms in the cavity extraction group are substituted by the conjugated group, for example, in the case where n4 is 2 or 3, the structural formula of the self-assembled molecule is as follows, wherein each branched chain comprises D 41 and D 42 each independently comprise a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroaromatic ring group, or a substituted or unsubstituted alkenyl group:

[0440] [Cavity extraction group]

[0441] In some embodiments, the hole-extracting group having 31 to 60 ring-forming atoms includes a substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms, or a substituted or unsubstituted aniline group having 31 to 60 ring-forming atoms, or the like;

[0442] Optionally, the hole-extracting group having 31 to 60 ring-forming atoms includes a substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms. When the self-assembled molecule is applied to a perovskite solar cell, the hole-extracting group described above is beneficial to the extraction and transport of holes. On the basis of the hole-extracting group described above, the conjugated group is beneficial to improving the conjugation of the whole molecule, reducing the migration energy barrier of the carrier in the molecule, and improving the conductivity of the self-assembled molecule.

[0443] When the group described above is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group, and the number of carbon atoms in the substituent group can be 1 to 5.

[0444] Optionally, the oxygen-containing substituent group includes one or more of an alkoxy group, an amide group, a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boric acid group, a carboxylic acid ester group, a phosphoric acid ester group, a sulfonic acid ester group, a silicic acid ester group, a boric acid ester group, a carboxylic acid radical, a phosphorous acid radical, a phosphoric acid radical, a boric acid radical, or a silicic acid radical.

[0445] Optionally, the substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms includes a structure represented by Formula B1,

[0446] In Formula B1,

[0447] S 20 includes a single bond, a substituted or unsubstituted C6 to C30 aralkylene group, or a substituted or unsubstituted C5 to C30 heteroaralkylene group;

[0448] S 21 and S 22 each independently includes a substituted or unsubstituted C6 to C30 arylene group, or a substituted or unsubstituted C6 to C30 nitrogen-containing heteroarylene group;

[0449] When the group described above is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group, and the number of carbon atoms in the substituent group can be 1 to 5.

[0450] In S 20 When S is a single bond, the nitrogen atom is directly connected to the conjugated group; when S is a double bond, the nitrogen atom is directly connected to the conjugated group.20 For the case of a non-single bond, the nitrogen atom is bonded to S 20 is directly connected to the conjugated group.

[0451] Optionally,

[0452] The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B 1-1 The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B 1-6 The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B

[0453] In the formula, * indicates a connection site of the hole extraction group to the conjugated group.

[0454] * indicates a connection site of the hole extraction group to the conjugated group.

[0455] s1, s2, s3, s4, s5, and s6 are any one of 0 to 3, and s1, s2, s3, s4, s5, and s6 are not simultaneously 0 in the same structural formula.

[0456] The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B 1-11 The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B 1-16 The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B

[0457] In the formula, * indicates a connection site of the hole extraction group to the conjugated group.

[0458] The above structure can be substituted or unsubstituted, and in the case of being substituted, the substituted formula B 1-1 The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B

[0459] Ar1, Ar2, Ar3, and Ar4 each independently represent a hydrogen atom or the substituent group, and at least one of Ar1, Ar2, Ar3, and Ar4 is the substituent group; in other words, in the case where Ar1, Ar2, Ar3, and Ar4 each independently are not a hydrogen atom, Ar1, Ar2, Ar3, and Ar4 each independently substitute any hydrogen atom on an aromatic ring or an arylene ring. For example, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or an alkyl group.

[0460] For example, Ar3 and Ar4 are a fluorine atom, the substituted formula B 1-1 The substituted or unsubstituted carbazole group having a ring-forming atom number of C31 to C60 includes one or more of the following structures of the substituted or unsubstituted formula B

[0461] Optionally, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C31 to C60 includes one or more of the following structures,

[0462] In the formula, * represents a connection site of the hole extraction group and the conjugated group;

[0463] s1, s2, s3, and s4 are any integer from 0 to 3, and in the same structural formula, s1, s2, s3, and s4 are not simultaneously 0.

[0464] For example, the substituted or unsubstituted aniline-based group having a ring-forming atom number of C31 to C60 includes one or more of the following structures,

[0465] [Conjugated group]

[0466] D 41 and D 42 all represent a conjugated group, D 41 and D 42 each independently includes a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group;

[0467] Optionally, D 41 and D 42 each independently includes a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group. The above groups are more stable, and can further improve the intrinsic stability of the self-assembled molecules.

[0468] Optionally, the substituted or unsubstituted arylene group includes a substituted or unsubstituted arylene group having a ring-forming atom number of C6 to C15.

[0469] Further optionally, the substituted or unsubstituted arylene group having a ring-forming atom number of C6 to C15 includes one or more of the following structures, 1-1 1-3

[0470] In the formula,

[0471] * represents a connection site of the conjugated group and the hole extraction group;

[0472] # represents a connection site of the conjugated group and the oxygen-containing group.

[0473] The connection site of the conjugated group and the hole extraction group can be any position, and the connection site of the conjugated group and the oxygen-containing group can be any position.

[0474] ​​For example, the substituted or unsubstituted formula G 1-1 The structure represented by the formula G

[0475] Optionally, the substituted or unsubstituted aromatic heterocyclic group includes a substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms, and the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms further include one or more atoms selected from nitrogen, oxygen, and sulfur.

[0476] Further optionally, the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms include nitrogen atoms.

[0477] For example, the substituted or unsubstituted formula G 2-1 The structure represented by the formula G 2-9 The structure represented by the formula G

[0478] In the formula,

[0479] * indicates a connection site of the conjugated group to the hole extraction group;

[0480] # indicates a connection site of the conjugated group to the oxygen-containing group.

[0481] The connection site of the conjugated group to the hole extraction group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0482] For example, the substituted or unsubstituted formula G 2-1 The structure represented by the formula G

[0483] Further optionally, the ring-forming atoms in the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms include oxygen atoms.

[0484] For example, the substituted or unsubstituted formula G 3-1 The structure represented by the formula G 3-3 The structure represented by the formula G

[0485] In the formula,

[0486] * indicates a connection site of the conjugated group to the hole extraction group;

[0487] # indicates a connection site of the conjugated group to the oxygen-containing group;

[0488] The connection site of the conjugated group to the hole-transporting group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0489] For example, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes one or more of the structures represented by the following formula G 3-1

[0490] Further optionally, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes a sulfur atom in the ring-forming atoms.

[0491] For example, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes one or more of the structures represented by the following formula G 4-1 4-3

[0492] In the formula,

[0493] * indicates a connection site of the conjugated group to the hole-transporting group;

[0494] # indicates a connection site of the conjugated group to the oxygen-containing group;

[0495] The connection site of the conjugated group to the hole-transporting group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0496] For example, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes one or more of the structures represented by the following formula G 4-1

[0497] Further optionally, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes a plurality of atoms selected from nitrogen, oxygen, and sulfur in the ring-forming atoms.

[0498] For example, the substituted or unsubstituted aromatic heterocyclic group having 5 to 15 ring-forming atoms includes one or more of the structures represented by the following formula G 5-1 5-7

[0499] In the formula,

[0500] * indicates a connection site of the conjugated group to the hole-transporting group;

[0501] ​​​​​​# represents a connection site of the conjugated group to the oxygen-containing group.

[0502] The connection site of the conjugated group to the hole-extracting group can be any position, and the connection site of the conjugated group to the oxygen-containing group can be any position.

[0503] For example, the structure represented by formula G 5-1 includes one or more of the following structures,

[0504] In some embodiments, the conjugated group includes a substituted or unsubstituted alkenylene group, which optionally includes a substituted or unsubstituted C2 to C6 chain alkenylene group, or a substituted or unsubstituted cyclic alkenylene group having a ring atom number of C5 to C15, and in the case of being substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

[0505] Optionally, the substituted or unsubstituted C2 to C6 chain alkenylene group includes a vinylene group, a propenylene group, or a butenylene group.

[0506] [Oxygen-containing group]

[0507] One of the hole transport layer and the first electrode has an anchoring effect with the oxygen-containing group, which can improve the binding force of the self-assembled molecule with the hole transport layer and improve the stability of the device.

[0508] In some embodiments, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boric acid group, a carboxylate group, a phosphonate group, a sulfonate group, a silicate group, a borate group, a carboxylate group, a phosphite group, a phosphate group, a borate group, or a silicate group.

[0509] Optionally, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphoric acid group, a boric acid group, a carboxylate group, a phosphate group, and a borate group.

[0510] For example, the self-assembled molecule includes one or more of a compound represented by formula I4-1 to a compound represented by formula I4-2,

[0511] In the above embodiments of the present application, the structure in the compound can be tested by nuclear magnetic resonance technology.

[0512] Perovskite solar cell

[0513] In a fifth aspect, the embodiments of the present application provide a perovskite solar cell.

[0514] As shown in FIG. 1, the perovskite solar cell 10 includes a first electrode 11, a functional layer 12, a perovskite light-absorbing layer 14 and a second electrode 16 which are stacked along a thickness direction M of the perovskite solar cell 10, wherein the functional layer 12 includes self-assembled molecules, and the self-assembled molecules include one or more of the self-assembled molecules of any one of the first aspect, the self-assembled molecules of any one of the second aspect, the self-assembled molecules of any one of the third aspect, and the self-assembled molecules of any one of the fourth aspect.

[0515] The functional layer 12 includes self-assembled molecules, and the self-assembled molecules include a hole extraction group, a conjugated group and an oxygen-containing group, the hole extraction group is connected to the oxygen-containing group through the conjugated group, which can improve the conjugation of the whole molecule, reduce the migration energy barrier of the carriers in the molecule, and improve the conductivity of the self-assembled molecules; and because the electron cloud is distributed in the whole molecule, it can reduce the problem of decline of molecular stability caused by too high local energy, improve the intrinsic stability of the self-assembled molecules, so that the self-assembled molecules can effectively play the roles of passivation, hole extraction and transport, thereby improving the device stability and the photoelectric conversion efficiency.

[0516] The functional layer 12 can be used as a hole transport layer, or as a passivation layer between the hole transport layer and the perovskite light-absorbing layer 14.

[0517] In some embodiments, the functional layer 12 is a hole transport layer, which is arranged on the surface of the first electrode 11, and the functional layer 12 is in contact with at least part of the surface of the first electrode 11.

[0518] In some embodiments, the thickness of the functional layer 12 is 1 nm to 30 nm, for example, 1 nm, 2 nm, 3 nm, 4 nm, 5 nm, 6 nm, 7 nm, 8 nm, 9 nm, 10 nm, 11 nm, 12 nm, 13 nm, 14 nm, 15 nm, 16 nm, 17 nm, 18 nm, 19 nm, 20 nm, 21 nm, 22 nm, 23 nm, 24 nm, 25 nm, 26 nm, 27 nm, 28 nm, 29 nm, 30 nm, or a range between any two of the above values. When the thickness of the functional layer 12 is in the above range, the holes can be effectively transported, and the photoelectric conversion efficiency of the device is improved.

[0519] As shown in FIG. 2, in some embodiments, the perovskite solar cell 10 can further include a hole transport layer 13, and the functional layer 12 is located between the hole transport layer 13 and the perovskite light-absorbing layer 14. The hole transport layer 13 serves as a carrier transport layer, can effectively transport holes, reduce carrier recombination at the interface between the perovskite light-absorbing layer 14 and the hole transport layer 13, and improve the photoelectric conversion efficiency of the perovskite solar cell 10; and the functional layer 12 can effectively passivate defects of the perovskite light-absorbing layer 14, further improving the photoelectric conversion efficiency of the device.

[0520] Optionally, the thickness of the functional layer 12 is 0.1 nm to 20 nm, for example, 0.1 nm, 0.5 nm, 0.8 nm, 1 nm, 2 nm, 3 nm, 4 nm, 5 nm, 6 nm, 7 nm, 8 nm, 9 nm, 10 nm, 11 nm, 12 nm, 13 nm, 14 nm, 15 nm, 16 nm, 17 nm, 18 nm, 19 nm, 20 nm, or a range between any two of the above values. When the thickness of the functional layer 12 is in the above range, the defects of the perovskite light-absorbing layer 14 can be effectively passivated, further improving the photoelectric conversion efficiency of the device.

[0521] The hole transport layer 13 includes a hole transport material, and the hole transport material includes one or more of the following materials and derivatives thereof and materials obtained by doping or passivation thereof: self-assembled molecules and inorganic compounds.

[0522] The self-assembled molecules include one or more of poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine], poly(3,4-ethylenedioxythiophene)-polystyrene sulfonic acid, 2,2',7,7'-tetrakis[N,N-bis(4-methoxyphenyl)amino]-9,9'-spirobifluorene, poly-3-hexylthiophene, methoxytriphenylamine-fluoroformamidines, triptycene-core triphenylamine, 3,4-ethylenedioxythiophene-methoxytriphenylamine, N-4-anilino carbazole-spirofluorene, polythiophene, and self-assembled monomolecular materials.

[0523] The inorganic compound includes one or more of metal oxides, cuprous iodide CuI, and cuprous thiocyanate; wherein the metal element in the metal oxide includes one or more of Ni, Mo, and Cu, for example, one or more of nickel oxide NiO x , molybdenum oxide MoO3, and cuprous oxide CuO.

[0524] When the hole transport material includes nickel oxide NiO xIn the case that the nickel oxide layer is rich in trivalent nickel, the nickel oxide layer has strong oxidizing property and can accelerate degradation of the perovskite material. In the embodiments of the present application, the functional layer 12 containing self-assembled molecules is further included, the self-assembled molecules can isolate the perovskite material from the trivalent nickel and delay the degradation rate of the perovskite material. Moreover, the self-assembled molecules include conjugated groups, which can improve the conjugation of the whole molecule, reduce the migration energy barrier of the carriers in the molecule, and improve the conductivity. The electrons are conjugated in the whole molecule, avoiding the decrease in the stability of the molecule caused by the excessively high local energy, thereby further improving the stability of the device and the photoelectric conversion efficiency of the device.

[0525] The perovskite light-absorbing layer 14 includes a perovskite material. After the perovskite material absorbs photons, an electron-hole pair is generated, and the electron-hole pair is thermalized to form an exciton, and then charge separation occurs. The photo-generated electron jumps to the LUMO energy level of the perovskite light-absorbing layer 14, and the photo-generated hole jumps to the HOMO energy level of the perovskite light-absorbing layer 14.

[0526] The perovskite material refers to a compound having a perovskite structure. The perovskite material includes one or more of compounds having a molecular formula of ABX3 or M2CDN6. A, B, M, C, and D are cations, and X and N are anions.

[0527] Taking ABX3 as an example, in an ideal cubic crystal structure, the B cation has a 6-fold coordination and is surrounded by anion octahedra, and the A cation has a 12-fold cubic octahedral coordination. The cubic cell of the compound is composed of A cations located at the corner positions, B cations located at the body center positions, and X anions occupying the face center positions.

[0528] In some embodiments, A and M each independently include one or more of Li + , Na + , K + , Rb + , Cs + , methylamine cation, ethylamine cation, propylamine cation, butylamine cation, pentylamine cation, hexylamine cation, formamidine cation, or imidazole cation.

[0529] In some embodiments, B includes Ca 2+ , Sr 2+ , Cd 2+ , Cu 2+ , Ni 2+ , Mn 2+ , Fe 2+ , Co 2+ , Pd 2+ , Ge 2+ , Sn 2+ , Pb 2+ , Yb 2+ , and Eu 2+one or more of Li

[0530] In some embodiments, X and N each independently comprise one or more of F - , Cl - , Br - , or I - .

[0531] In some embodiments, C comprises one or more of Cs + , Ag + , K + , or Ru + .

[0532] In some embodiments, D comprises one or more of Bi 3+ , Ni 3+ , Fe 3+ , Sb 3+ , In 3+ , or Cu 3+ .

[0533] For example, the perovskite material comprises one or more of CH8I3N2Pb (FAPbI3), Cs 0.05 (FA 0.83 MA 0.17 ) 0.95 Pb(I 0.83 Br 0.17 )3, methylammonium lead iodide (CH3NH3PbI3, MAPbI3), CsPbBr3, CsPbI3, CsFAPbI3, MAFAPbI3, where MA + represents a methylamine cation CH3NH3 + and FA represents a formamidinium cation ((NH2)2CH + ).

[0534] In some embodiments, the thickness of the perovskite light-absorbing layer 14 is in a range from 200 nm to 1000 nm, such as 200 nm, 250 nm, 300 nm, 400 nm, 500 nm, 600 nm, 700 nm, 800 nm, 900 nm, 1000 nm, or a range defined by any two of the aforementioned values. When the thickness of the perovskite light-absorbing layer 14 is in the aforementioned range, the photoelectric conversion function of the perovskite light-absorbing layer 14 can be effectively exerted, and the photoelectric conversion efficiency of the perovskite solar cell 10 can be improved.

[0535] As shown in FIG. 3, in some embodiments, the perovskite solar cell 10 further comprises an electron transport layer 15, which is disposed between the perovskite light-absorbing layer 14 and the second electrode 16.

[0536] The electron transport layer 15, as a kind of carrier transport layer, can effectively transport electrons, reduce carrier recombination at the interface between the photoelectric conversion layer and the electron transport layer 15, and improve the photoelectric conversion efficiency of the perovskite solar cell 10.

[0537] The electron transport layer 15 can include an electron transport material, which can include one or more of doped or undoped tin oxide, doped or undoped titanium oxide, doped or undoped zinc oxide, and doped or undoped organic molecular material. The doping elements can include one or more of Mg, Zn, Ag, Li, Rb, Ta, and Nb, for example, doped with chlorides of the above elements. Specifically, the electron transport material can include one or more of [6,6]-phenyl C 61 methyl butyrate (PC 61 BM), [6,6]-phenyl C 71 methyl butyrate PC 71 BM, fullerene C 60 , fullerene C 70 SnO2, ZnO, etc.

[0538] In some embodiments, one or both of the first electrode 11 and the second electrode 16 is a transparent electrode to allow light to enter.

[0539] In some embodiments, the electrode material in the first electrode 11 includes one or more of a transparent conductive oxide, a metal, a carbon material, etc., wherein the transparent conductive oxide includes one or more of indium tin oxide ITO, fluorine-doped tin oxide FTO, indium-doped zinc oxide IZO, aluminum-doped zinc oxide AZO, boron-doped zinc oxide BZO, antimony-doped tin oxide, indium-doped tungsten oxide IWO; the metal includes but is not limited to one or more of the following materials silver, copper, gold, aluminum, platinum. The carbon material includes one or more of graphite, graphene, carbon nanotubes.

[0540] In some embodiments, the electrode material of the second electrode 16 includes one or more of a transparent conductive oxide, a metal, a carbon material, etc., wherein the transparent conductive oxide includes one or more of indium tin oxide ITO, fluorine-doped tin oxide FTO, indium-doped zinc oxide IZO, aluminum-doped zinc oxide AZO, boron-doped zinc oxide BZO, antimony-doped tin oxide, indium-doped tungsten oxide IWO; the metal includes but is not limited to one or more of the following materials silver, copper, gold, aluminum, platinum. The carbon material includes one or more of graphite, graphene, carbon nanotubes.

[0541] In some embodiments, the perovskite solar cell 10 further comprises a substrate layer, which is a rigid substrate layer or a flexible substrate layer; further, the rigid substrate layer is transparent glass; the material of the flexible substrate layer comprises an organic polymer material; further, the material of the flexible substrate layer can be mixed by one or more of the following materials in different proportions: polyvinyl alcohol (PVA), polyester (PET), polyimide (PI), polyethylene naphthalate glycol (PEN), polydimethylsiloxane (PDMS), etc., but not limited to.

[0542] The perovskite solar cell 10 can be a formal structure (n-i-p) or an inverse structure (p-i-n).

[0543] In the case that the perovskite solar cell 10 comprises a hole transport layer 13 and an electron transport layer 15, the perovskite solar cell 10 comprises a first electrode 11, a hole transport layer 13, a functional layer 12, a perovskite light-absorbing layer 14, an electron transport layer 15 and a second electrode 16, which are sequentially stacked along the thickness direction M of the perovskite solar cell 10. Optionally, a functional layer structure such as a buffer layer, a passivation layer, etc. can be further included between the transport layer and the perovskite light-absorbing layer 14. The perovskite solar cell 10 shown in FIG. 3 is an inverse structure; the arrow in FIG. 3 represents the direction of incident light.

[0544] As shown in FIG. 4, the perovskite solar cell 10 comprises a second electrode 16, an electron transport layer 15, a perovskite light-absorbing layer 14, a functional layer 12, a hole transport layer 13, a first electrode 11, which are sequentially stacked along the thickness direction M of the perovskite solar cell 10. Optionally, a functional layer structure such as a buffer layer, a passivation layer, etc. can be further included between the transport layer and the perovskite light-absorbing layer 14. The perovskite solar cell 10 shown in FIG. 4 is a formal structure; the arrow in FIG. 4 represents the direction of incident light.

[0545] In the case that the perovskite solar cell 10 does not comprise a hole transport layer 13,

[0546] As shown in FIG. 5, the perovskite solar cell 10 comprises a first electrode 11, a functional layer 12, a perovskite light-absorbing layer 14, an electron transport layer 15 and a second electrode 16, which are sequentially stacked along the thickness direction M of the perovskite solar cell 10. Optionally, a functional layer structure such as a buffer layer, a passivation layer, etc. can be further included between the transport layer and the perovskite light-absorbing layer 14. The perovskite solar cell 10 shown in FIG. 5 is an inverse structure; the arrow in FIG. 5 represents the direction of incident light.

[0547] As shown in FIG. 6, the perovskite solar cell 10 includes a second electrode 16, an electron transport layer 15, a perovskite light-absorbing layer 14, a functional layer 12, and a first electrode 11, which are sequentially stacked along the thickness direction M of the perovskite solar cell 10. Optionally, a functional layer structure such as a buffer layer or a passivation layer can be further included between the transport layer and the perovskite light-absorbing layer 14. The perovskite solar cell 10 shown in FIG. 6 is a formal structure; and the arrow in FIG. 6 represents the direction of incident light.

[0548] In the embodiments of the present application, the thickness of each film layer in the perovskite solar cell 10 can be detected by using devices and methods known in the art, for example, an ellipsometer can be used to detect the film thickness, and the test method can refer to the standard test.

[0549] A photovoltaic module 1

[0550] In a sixth aspect, the embodiments of the present application further provide a photovoltaic module 1.

[0551] As shown in FIG. 7, the photovoltaic module 1 includes the perovskite solar cell 10 according to any one of the embodiments of the first aspect of the present application.

[0552] In some embodiments, the photovoltaic module 1 can include at least one perovskite solar cell 10, for example, the photovoltaic module 1 can include one perovskite solar cell 10, or include a plurality of perovskite solar cells 10. In the case where the photovoltaic module 1 includes a plurality of perovskite solar cells 10, the plurality of perovskite solar cells 10 can be connected in series, in parallel, or in a mixed connection. The mixed connection means that the plurality of perovskite solar cells 10 are divided into a plurality of groups of cells, each group of cells is connected in series internally, and then adjacent two groups of cells are connected in parallel; or each group of cells is connected in parallel internally, and then adjacent two groups of cells are connected in series. As shown in FIG. 7, the photovoltaic module 1 includes at least one perovskite solar cell 10.

[0553] In some embodiments, the photovoltaic module 1 includes a single-junction perovskite cell made of the perovskite cell described above, or includes a stacked cell including the perovskite cell described above.

[0554] The above stacked cell can more reasonably utilize photons in the full spectral range by connecting a wide-bandgap cell with a narrow-bandgap cell, and can reduce energy loss. Specifically, the stacked solar cell includes a bottom cell and a top cell. The bottom cell has a relatively narrow bandgap, and can be a silicon cell or a perovskite solar cell 10. The top cell has a relatively wide bandgap, and can be a perovskite solar cell 10. Exemplarily, the stacked cell can include one or more of a crystalline silicon-perovskite stacked solar cell or a full-perovskite solar cell 10. Exemplarily, the above crystalline silicon-perovskite stacked solar cell can include a crystalline silicon bottom cell and a perovskite top cell arranged in sequence and stacked. The perovskite solar cell 10 can be used as the perovskite top cell in the crystalline silicon-perovskite stacked solar cell. Exemplarily, the above full-perovskite solar cell 10 can include a first perovskite cell and a second perovskite cell arranged in sequence and stacked. Both the first perovskite cell and the second perovskite cell can be the perovskite solar cell 10 of the present application.

[0555] Power generation device

[0556] In a seventh aspect, the embodiments of the present application further provide a power generation device including the photovoltaic module 1 of any of the embodiments of the sixth aspect. The power generation device can have high photoelectric conversion efficiency and transparency, and can be applied to application scenarios requiring both transparency and conductivity.

[0557] Power consumption device

[0558] In an eighth aspect, the embodiments of the present application further provide a power consumption device 2.

[0559] As shown in FIG. 8, the power consumption device 2 includes the photovoltaic module 1 of any of the embodiments of the sixth aspect.

[0560] The photovoltaic module 1 can be used as a power supply of the power consumption device 2, or can be used as an energy storage unit of the photovoltaic module 1. The power consumption device 2 can be, but is not limited to, a mobile device (such as a mobile phone, a notebook computer, etc.), an electric vehicle (such as a pure electric vehicle, a hybrid electric vehicle, a plug-in hybrid electric vehicle, an electric bicycle, an electric scooter, an electric golf cart, an electric truck, etc.), an electric train, a ship and a satellite, an energy storage system, etc.

[0561] FIG. 8 is a schematic diagram of the power consumption device 2 as an example. The power consumption device 2 is a pure electric vehicle, a hybrid electric vehicle, or a plug-in hybrid electric vehicle, etc. The power consumption device 2 includes the photovoltaic module 1.

[0562] The power consumption device 2 as another example can be a mobile phone, a tablet computer, a notebook computer, etc.

[0563] Embodiments

[0564] The present application is further described in the following examples that are intended to be illustrative only, as various modifications and changes evident to those skilled in the art can be made without departing from the scope of the present application. Unless otherwise indicated, all parts, percentages, and ratios reported herein are on a weight basis, and all reagents used in the examples are commercially available or synthesized by conventional methods and used without further purification, and the instruments used in the examples are commercially available.

[0565] Preparation of compound of formula I1-2:

[0566] Step 1:

[0567] Take a reaction vessel, add (4-(di([1,1'-biphenyl]-4-yl)amino)phenyl)boronic acid (0.42 mmol), 2,1,3-benzothiadiazole-4-carboxylic acid-7-bromo-methyl ester (0.5 mmol), tetrakis(triphenylphosphine)palladium Pd(PPh3)4 (15 mg, 0.021 mmol) and potassium carbonate (87 mg, 0.63 mmol) in a mixture of tetrahydrofuran THF (14 mL) and water (2 mL) and heat to reflux overnight. After cooling to room temperature, extract the mixture with CH2Cl2 and dry the combined organic layers over anhydrous Na2SO4. After evaporation of the solvent, purify the residue by column chromatography (silica gel, petroleum ether: CH2Cl2 = 1:1 as eluent) to give a dark red solid in 57% yield.

[0568] The reaction process is as follows:

[0569] Step 2: This process is to heat the product of step 1 with potassium hydroxide KOH (1 mmol) in a mixture of tetrahydrofuran THF (5 mL) and methanol MeOH (1 mL) at 70°C overnight. After cooling to room temperature, add an equal volume of water, then add 2 mol / L HCl (aqueous solution) to neutralize the mixture. Remove most of the methanol by rotary evaporation, extract with dichloromethane, remove water from the organic phase with anhydrous magnesium sulfate, filter under suction, concentrate the organic phase, and purify by flash column chromatography (silica gel, CH2Cl2: methanol in a volume ratio of 10:1 as eluent) to give a yellow liquid in 80% yield; Figure 9 is the nuclear magnetic resonance spectrum of the reaction product, with the abscissa being the chemical shift in ppm and the ordinate representing the signal strength, whose peak position and peak intensity reflect the characteristic information of the product.

[0570] The reaction process is as follows:

[0571] Preparation of compound of formula I1-3:

[0572] Step 1:

[0573] Take a reaction vessel and add 2-(diethoxyphosphoryl)pyridine-5-boronic acid pinacol ester (1 eq), 1,4-benzenediamine, N1-(4-bromophenyl)-N1,N4,N4- triphenyl (CAS: 585540-48-3) (1 eq), tetrakis(triphenylphosphine)palladium Pd(PPh3)4 (0.04 eq) and potassium carbonate (2 eq) in a mixture of tetrahydrofuran THF and water (7 / 1, v / v) and heat to reflux overnight. After cooling to room temperature, extract the mixture with CH2Cl2and dry the combined organic layers with anhydrous Na2SO4. After evaporation of the solvent, purify the residue by column chromatography (silica gel, petroleum ether: CH2Cl2= 1:1 as eluent) with a yield of 70% as a yellow oily liquid.

[0574] The reaction proceeds as follows:

[0575] Step 2:

[0576] Take a reaction vessel and dissolve the product of step 1 (1 eq) in 1,4-dioxane and add dropwise trimethylsilyl bromide (10 eq). Stir the reaction under an argon atmosphere at 25 °C for 22 hours. After this time, add methanol and continue stirring for 3 hours, finally add distilled water dropwise until the solution becomes opaque and stir overnight. If no solid precipitates, use reduced pressure distillation until the liquid becomes turbid and add distilled water until a solid precipitates. Filter the product, dissolve in tetrahydrofuran and precipitate with n-hexane, filter the product, wash with n-hexane, and dry by suction filtration to obtain a light green solid with a yield of 50%; Figure 10 is the nuclear magnetic resonance spectrum of the reaction product.

[0577] The reaction proceeds as follows:

[0578] Preparation of the compound of formula I2-1:

[0579] Step 1:

[0580] To a reaction vessel was added 1,4-phenylenediamine, N1,N1,N4-triphenyl-N4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- (CAS 1325614-39-8) (1 eq), (E)-2-(4-bromophenyl)vinylphosphonic acid diethyl ester (CAS: 60585-76-4) (1 eq), tetrakis(triphenylphosphine)palladium Pd(PPh3)4 (0.04 eq) and potassium carbonate (2 eq) in a mixture of tetrahydrofuran THF and water (7 / 1, v / v) and heated to reflux overnight. After cooling to room temperature, the mixture was extracted with CH2Cl2and the combined organic layers were dried over anhydrous Na2SO4. After evaporation of the solvent, the residue was purified by column chromatography (silica gel, petroleum ether: CH2Cl2= 1:1 as eluent) in 80% yield as a yellow oily liquid.

[0581] The reaction proceeded as follows:

[0582] Step 2:

[0583] The reaction steps are as described in Step 2 of the preparation of the compound of Formula II 3-3, which is not repeated here; Figure 11 is the nuclear magnetic resonance spectrum of the reaction product.

[0584] Preparation of the compound of Formula II 2-3:

[0585] Step 1:

[0586] To a reaction vessel was added dibenzo[a,j]acridine, 7,14-dihydro (1 eq, CAS: 31054-34-9), 2-(4-bromophenyl)quinoline-6-carboxylic acid methyl ester (1 eq, CAS: 1204473-26-6), tris(dibenzylidene-BASE acetone) dipalladium(0) Pd2(dba)3 (0.02 eq), tri-tert-butylphosphine (1 M in toluene, 0.1 eq) and cesium carbonate (2 eq), added toluene, replaced the air in the bottle with Ar, and the starting material was reacted in toluene at 110 °C overnight for 12 h. After cooling to room temperature, the mixture was extracted with CH2Cl2and the combined organic layers were dried over anhydrous Na2SO4. After evaporation of the solvent, the residue was purified by column chromatography (silica gel, ethyl acetate: petroleum ether = 1:2 as eluent) in 52% yield as a yellow oily liquid.

[0587] The reaction proceeded as follows:

[0588] Step 2:

[0589] The reaction steps are as described in Step 2 of the preparation of the compound of Formula II 3-3, which is not repeated here; Figure 12 is the nuclear magnetic resonance spectrum of the reaction product.

[0590] The reaction process is as follows:

[0591] Preparation of the compound shown in formula I3-2:

[0592] Step 1:

[0593] Take a reaction vessel, add 10,15-dihydro-5H-dipyrido[3,2-A:3',2'-C]carbazole (CAS 109005-10-9) (1 eq), (E)-2-(4-bromophenyl)vinylphosphonic acid diethyl ester (CAS: 60585-76-4) (1 eq), tris(dibenzylideneacetone)dipalladium (0.02 eq), tri-tert-butylphosphine (0.08 eq), cesium carbonate (2 eq), add appropriate amount of toluene, and replace the air in the bottle with inert gas three times to make the bottle an inert atmosphere. Warm up to 110°C and react overnight. The obtained product is extracted with saturated brine and water, and the oil phase is dried with anhydrous magnesium sulfate and then filtered and concentrated. The final product is separated by column chromatography (CH2Cl2 / EA = 3:1, v / v), rotary evaporation, and the final product is placed in an oven at 70°C and vacuum dried for 12 h to obtain a yellow oily liquid with a yield of 50%.

[0594] The reaction process is as follows:

[0595] Step 2:

[0596] The reaction steps are as shown in Step 2 of the preparation of the compound shown in formula I1-3, which will not be repeated here; and FIG. 13 is the nuclear magnetic resonance spectrum of the reaction product.

[0597] The reaction process is as follows:

[0598] Preparation of the compound shown in formula I3-1:

[0599] Step 1:

[0600] Take a reaction vessel, add 5-(4-bromophenyl)thiophene-2-carboxylic acid ethyl ester (2 eq, CAS: 19282-41-8), 5,7-dihydroindolo[2,3-b]carbazole (1 eq, CAS: 111296-90-3), tris(dibenzylideneacetone)dipalladium (0) Pd2(dba)3 (0.05 eq), tri-tert-butylphosphine (1M solution in toluene, 0.2 eq), and cesium carbonate (4 eq), add toluene, replace the air in the bottle with Ar, and react the raw materials in toluene at 110°C overnight. After cooling to room temperature, extract the mixture with CH2Cl2, and dry the combined organic layers with anhydrous Na2SO4. After evaporation of the solvent, purify the residue by column chromatography (silica gel, ethyl acetate: petroleum ether = 1:4 as eluent) to obtain a dark yellow oily paste with a yield of 60%.

[0601] The reaction process is as follows:

[0602] Step 2: The reaction procedure is the same as Step 2 of the preparation of the compound shown as Formula II 1-3, which is not repeated here; Figure 14 is the nuclear magnetic resonance spectrum of the reaction product.

[0603] The reaction process is as follows:

[0604] Preparation of the compound shown as Formula IV 1-1:

[0605] Step 1:

[0606] The synthesis procedure is the same as the first step of Formula III 1-1, except that 5-(4-bromophenyl)thiophene-2-carboxylic acid ethyl ester is replaced by 4-[5-(4-chlorophenyl)-2-thienyl]benzoic acid ethyl ester (CAS: 480390-66-7);

[0607] The reaction process is as follows:

[0608] Step 2:

[0609] The reaction procedure is the same as Step 2 of the preparation of the compound shown as Formula II 1-3, which is not repeated here; Figure 15 is the nuclear magnetic resonance spectrum of the reaction product.

[0610] The reaction process is as follows:

[0611] Preparation of the compound shown as Formula IV 1-2:

[0612] Step 1:

[0613] (E)-2-(4-bromophenyl)vinyl phosphonic acid diethyl ester (CAS: 60585-76-4) (1 eq) is dissolved in tetrahydrofuran, and is bubbled with argon gas for 0.5 h under stirring at -78°C, then butyllithium (2.5 eq) is slowly added dropwise to the above system, and after the addition, stirring is continued for 1 h, 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (4 eq) is added dropwise, and the reaction is carried out at -78°C for 1 h, then the temperature is raised to room temperature, the product after the reaction is poured into deionized water, and then extracted with chloroform three times, the organic phase is combined, anhydrous magnesium sulfate is used to remove water, the solvent is removed by rotary evaporation, the product is recrystallized with isopropanol, the precipitate is dissolved in chloroform, and methanol is added for precipitation, and a yellow oily liquid can be obtained, with a yield of 82%.

[0614] The reaction process is as follows:

[0615] Step 2:

[0616] A reaction vessel was charged with p-bromoiodobenzene (1 eq), the product of Step 1 (1 eq), tetrakis(triphenylphosphine)palladium Pd(PPh3)4(0.04 eq) and potassium carbonate (2 eq) in a mixture of tetrahydrofuran THF and water (7 / 1, v / v) and heated to reflux overnight. After cooling to room temperature, the mixture was extracted with CH2Cl2and the combined organic layers were dried over anhydrous Na2SO4. After evaporation of the solvent, the residue was purified by column chromatography (silica gel, ethyl acetate: CH2Cl2= 1:3 as eluent) to give a yellow oily liquid with a yield of 85%.

[0617] The reaction procedure was as follows:

[0618] Step (3): Refer to Step (1) of Formula I3-1, which is not repeated here, and the reaction procedure was as follows:

[0619] Step (4): The hydrolysis procedure refers to the second step of Formula I-3, which is not repeated here, and the reaction procedure was as follows:

[0620] Figure 16 is the nuclear magnetic resonance spectrum of the reaction product.

[0621] Comparative Example 1:

[0622] (4-(3,6-dimethyl-9H-carbazol-9-yl)butyl)phosphonic acid Me-4PACz, CAS: 2747959-96-0, which is represented as a compound shown in Formula D-1, has the following structural formula:

[0623] Preparation of perovskite solar cells

[0624] (1) First electrode

[0625] A 1.5 m x 1.5 cm FTO layer (FTO layer thickness of 500 nm) was etched by 1 / 3 of the FTO layer using zinc powder and 1 mol / L hydrochloric acid, ultrasonically cleaned multiple times with acetone, isopropyl alcohol, immersed in deionized water for ultrasonic cleaning for 10 min, finally dried with nitrogen and put into an ultraviolet ozone machine for further cleaning, as the first electrode.

[0626] (2) Nickel oxide NiO x Preparation of hole transport layer

[0627] The surface of the first electrode was spin-coated with nickel oxide NiO at a speed of 5000 rpm x The precursor of the nanoparticles (10 mg / mL, solvent is water) was then moved to a constant temperature hot plate and heated at 100°C for 15 min. After cooling to room temperature, a hole transport layer was formed with a thickness of 20 nm.

[0628] (3) Preparation of the functional layer

[0629] The surface of the hole transport layer was spin-coated with an ethanol solution of 1 mg / mL self-assembled molecules at a speed of 4000 rpm, and then moved to a constant temperature hot stage and heated at 100°C for 10 min. After cooling to room temperature, the functional layer was formed.

[0630] (4) Preparation of the perovskite light-absorbing layer

[0631] The surface of the functional layer was spin-coated with a precursor solution of 1.5 mol / L methylammonium lead iodide (CH3NH3PbI3, MAPbI3) with DMF as the solvent at a speed of 4000 rpm, and then moved to a constant temperature hot stage and heated at 100°C for 30 min. After cooling to room temperature, the perovskite light-absorbing layer was formed, with a thickness of 500 nm.

[0632] (5) Preparation of the electron transport layer and the second electrode

[0633] The perovskite solar cell device was obtained by sequentially evaporating 30 nm of C60, 7 nm of bathocuproine (BCP), and 60 nm of a Cu electrode (as the second electrode) on the perovskite light-absorbing layer at an evaporation rate of 0.1 A / s.

[0634] After the perovskite solar cell device was prepared, a layer of encapsulating glue was applied around and on the surface of the device. The encapsulating glue was colorless and transparent epoxy resin glue. A glass back plate layer was overlaid on the encapsulating glue and press-fit, and the device was left stationary for 2 h. The encapsulating glue was cured, and the perovskite solar cell was obtained.

[0635] The self-assembled molecules in Examples 1 to 8 were different in material, and the thickness of the functional layer in Examples 1, 9, and 10 was different.

[0636] Comparative Example 1

[0637] A perovskite solar cell was prepared by a method similar to that of Example 1, except that the material of the functional layer was adjusted.

[0638] Comparative Example 2

[0639] A perovskite solar cell was prepared by a method similar to that of Example 1, except that no functional layer was provided and the perovskite light-absorbing layer was directly provided on the surface of the hole transport layer.

[0640] Examples 11 and 12

[0641] A perovskite solar cell was prepared by a method similar to that of Example 1, except that no nickel oxide hole transport layer was provided. The preparation steps of the perovskite solar cell included:

[0642] (1) first electrode

[0643] A 1.5m x 1.5cm FTO layer (FTO layer thickness 500nm) was etched by zinc powder and 1mol / L hydrochloric acid to remove 1 / 3 of the FTO layer, and was cleaned by acetone and isopropyl alcohol multiple times, immersed in deionized water for ultrasonic cleaning for 10min, and finally dried with nitrogen and placed in an ultraviolet ozone machine for further cleaning, as the first electrode.

[0644] (2) preparation of functional layer

[0645] The surface of the hole transport layer was spin-coated with 1mg / mL ethanol solution of self-assembled molecules at a speed of 4000rpm, then moved to a constant temperature hot plate and heated at 100°C for 10min, and after cooling to room temperature, the functional layer was formed.

[0646] (3) preparation of perovskite light absorbing layer

[0647] The surface of the functional layer was spin-coated with 1.5mol / L methylammonium lead iodide (CH3NH3PbI3, MAPbI3) precursor solution at a speed of 4000rpm, wherein the solvent was DMF, then moved to a constant temperature hot plate and heated at 100°C for 30min, and after cooling to room temperature, the perovskite light absorbing layer was formed, with a thickness of 500nm.

[0648] (4) preparation of electron transport layer and second electrode

[0649] A 30nm C60, 7nm bathocuproine BCP, and 60nm Cu electrode (as the second electrode) were sequentially evaporated on the perovskite light absorbing layer at an evaporation rate of 0.1A / s, to obtain a perovskite solar cell device.

[0650] After the perovskite solar cell device was prepared, a layer of encapsulating glue was coated around the device and on the surface, the encapsulating glue was colorless and transparent epoxy resin glue, a glass back plate layer was overlaid on the encapsulating glue and pressure bonded, and the encapsulating glue was cured after standing for 2h, to obtain a perovskite solar cell.

[0651] Among them, the self-assembled molecules of Example 11 to Example 12 are different in material.

[0652] Performance test

[0653] 1. photoelectric conversion efficiency

[0654] At room temperature and normal pressure, the test is carried out using a standard light source of AM1.5G of a solar light simulation light source in accordance with the national standard IEC61215, the intensity of the crystalline silicon solar cell correction light is made to reach a solar intensity, the four-channel digital source table (Keithley 2440) is used to measure the volt-ampere characteristic curve of the solar cell under the irradiation of the light source, and the open-circuit voltage Voc, the short-circuit current density Jsc, the fill factor FF (Fill Factor), and the photoelectric conversion efficiency Eff (Efficiency) of the solar cell are obtained. The photoelectric conversion efficiency is calculated as follows:

[0655] Eff = Pout / Pin x 100%, wherein Pout and Pin are the working output power and the incident light power of the perovskite solar cell, respectively, and the incident light power is 100 mW / cm 2 .

[0656] The photoelectric conversion efficiency obtained by the test is taken as the initial efficiency.

[0657] 2. Device stability determination

[0658] After the photoelectric conversion efficiency test is completed, the perovskite solar cell is placed in an atmospheric environment (the relative humidity is 65-85%, and the ambient temperature is about 15-40°C), and is placed for 500 hours without light shielding. The photoelectric conversion efficiency is tested again (each test is stopped until there is no hysteresis phenomenon in the forward and reverse scans, and the photoelectric conversion efficiency is recorded), the ratio of the photoelectric conversion efficiency of the perovskite solar cell after being placed in the atmosphere for 500 hours to the initial efficiency is calculated, and is taken as the normalized efficiency of the solar cell after being placed for 500 hours.

[0659] The initial normalized efficiency = the retested efficiency / initial efficiency x 100%.

[0660] The test results are shown in Table 1.

[0661] Table 1

[0662] In Comparative Example 2, no functional layer is arranged between the hole transport layer and the perovskite light-absorbing layer, and a side reaction may occur at the interface between the hole transport layer and the perovskite light-absorbing layer, and the perovskite material in the perovskite light-absorbing layer may be decomposed, resulting in poor device stability and photoelectric conversion efficiency of the perovskite solar cell.

[0663] Compared with Comparative Example 2, Comparative Example 1 arranges a functional layer between the hole transport layer and the perovskite light-absorbing layer, and the functional layer comprises Me-4PACz. The conductivity of the Me-4PACz is poor, and the passivation effect and the carrier migration performance are poor, so that the improvement of the device stability and the photoelectric conversion efficiency of the perovskite solar cell is limited.

[0664] The self-assembled molecules arranged in the functional layer of the embodiment of the present application further include a conjugated group and the like, so that the electron cloud is distributed in the whole molecule, the conductivity of the self-assembled molecules is improved, the intrinsic stability of the self-assembled molecules is improved, the device stability is improved when the self-assembled molecules are applied to perovskite solar cells, and the photoelectric conversion efficiency is improved.

[0665] It is found through experiments that the above self-assembled molecules made of different materials can effectively improve the device stability and the photoelectric conversion efficiency of the perovskite solar cells. When the thickness of the functional layer is 0.1 nm to 20 nm, the device stability and the photoelectric conversion efficiency of the perovskite solar cells can be effectively improved.

[0666] Moreover, the functional layer of the embodiment of the present application has a hole transport function and can be used as a hole transport layer. When the thickness of the functional layer is 1 nm to 30 nm, the device stability and the photoelectric conversion efficiency of the perovskite solar cells can be effectively improved.

[0667] Although the illustrative embodiments have been shown and described, those skilled in the art should understand that the above embodiments cannot be interpreted as a limitation of the present application, and the embodiments can be changed, replaced and modified without departing from the spirit, principles and scope of the present application.

Claims

1. A perovskite solar cell comprising a first electrode, a functional layer, a perovskite light-absorbing layer, and a second electrode, which are stacked in a thickness direction of the perovskite solar cell, the functional layer comprising a self-assembled molecule, the self-assembled molecule comprising one or more of a structural formula represented by Formula I1, a structural formula represented by Formula I2, a structural formula represented by Formula I3, or a structural formula represented by Formula I4, Formula I1 wherein Ar1 represents a hole-extracting group having 10 to 30 ring-forming atoms; D1 includes a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group; and E1 represents an oxygen-containing group; n1 represents the number of connection sites of D1 and Ar1, and n1 is any positive integer of 1 to 8, Formula I2 wherein Ar2 represents a hole-extracting group having 10 to 30 ring-forming atoms; E2 represents an oxygen-containing group, Formula I3 wherein Ar3 represents a hole-extracting group having 31 to 60 ring-forming atoms; D3 includes a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group; and E3 represents an oxygen-containing group; n3 represents the number of connection sites of D3 and Ar3, and n3 is any positive integer of 2 to 8, Formula I4 wherein Ar4 represents a hole-extracting group having 31 to 60 ring-forming atoms; and E4 represents an oxygen-containing group. wherein The hole-extracting group having 10 to 30 ring-forming atoms includes a substituted or unsubstituted aniline group having 10 to 30 ring-forming atoms, a substituted or unsubstituted acridine group having 10 to 30 ring-forming atoms, The self-assembled molecules include a structural formula shown in Formula I1, In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Formula A1 wherein In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Formula wherein s1, s2, s3, and s4 are any integer of 0 to 3, and s1, s2, s3, and s4 are not simultaneously 0 in the same structural formula. Formula A2 wherein The self-assembled molecules include a structural formula shown in Formula I2, In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Formula wherein s1, s2 are any integer of 0 to 3, and s1, s2 are not simultaneously 0 in the same structural formula. D 21 and D 22 one of which comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted arylheterocycle group;D 21 and D 22 the other of which comprises a substituted or unsubstituted arylheterocycle group, or a substituted or unsubstituted alkenylene group; The hole-extracting group having 31 to 60 ring-forming atoms includes a substituted or unsubstituted carbazole group having 31 to 60 ring-forming atoms, n2 represents D 21 the number of attachment sites of Ar2, n2, is any positive integer from 1 to 8; The self-assembled molecules include a structural formula shown in Formula I3, In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Formula B1 wherein In the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group. Formula ​ The self-assembled molecules include a structural formula shown in Formula I4, ​ ​ D 41 and D 42 each independently comprises a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group; n4 represents D 41 the number of attachment sites of Ar4and n4 is any positive integer from 2 to 8; ​ 2. The perovskite solar cell of claim 1, wherein, ​ ​ 3. The perovskite solar cell of claim 2, wherein, The substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes a structure represented by Formula A1, ​ M 11 and M 12 each independently comprises a substituted or unsubstituted aromatic group having a ring-forming atom number of C5 to C15; M 13 comprising a substituted or unsubstituted arylene group having a ring-forming atom number of C5 to C15; ​ 4. The perovskite solar cell of claim 3, wherein, The substituted or unsubstituted aniline-based group having a ring-forming atom number of C10 to C30 includes a substituted or unsubstituted formula A 1-1 one or more of the structures shown to a substituted or unsubstituted formula A 1-5 one or more of the structures shown to a substituted or unsubstituted formula A ​ * denotes the linking site of the hole-extracting group to D1, or * denotes the linking site of the hole-extracting group to D 21 ; ​ 5. The perovskite solar cell of claim 2, wherein, The substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30 includes a structure represented by Formula A2, ​ M 21 comprises a single bond, a substituted or unsubstituted C6to C15arylene group, or a substituted or unsubstituted C5to C15heteroarylene group; M 22 and M 23 each independently comprises a substituted or unsubstituted C6 to C15 aromatic hydrocarbon group, or a substituted or unsubstituted C6 to C15 aromatic heterocyclic group; ​ 6. The perovskite solar cell of claim 5, wherein, The substituted or unsubstituted acridine-based group having a ring-forming atom number of C10 to C30 includes a substituted or unsubstituted formula A 2-1 one or more of the structures shown to a substituted or unsubstituted formula A 2-3 one or more of the structures shown to a substituted or unsubstituted formula A ​ * denotes the linking site of the hole-extracting group to D1, or * denotes the linking site of the hole-extracting group to D 21 ; ​ 7. The perovskite solar cell according to any one of claims 1 to 6, wherein ​ ​ 8. The perovskite solar cell of claim 7, wherein, The substituted or unsubstituted carbazole-based group having a ring-forming atom number of C31 to C60 includes a structure represented by Formula B1, ​ S 20 comprises a single bond, a substituted or unsubstituted C6 to C30 arylene group, or a substituted or unsubstituted C5 to C30 heteroarylene group; S 21 and S 22 each independently comprises a substituted or unsubstituted C6 to C30 aromatic hydrocarbon group, or a substituted or unsubstituted C6 to C30 nitrogen-containing aromatic heterocyclic group; ​ 9. The perovskite solar cell of claim 8, wherein, The substituted or unsubstituted carbazolyl group having a ring-forming atom number of C31 to C60 includes a substituted or unsubstituted formula B 1-1 one or more of the structures shown to a substituted or unsubstituted formula B 1-6 one or more of the structures shown to a substituted or unsubstituted formula B ​ * denotes the site of attachment of the hole-extracting group to D3, or * denotes the site of attachment of the hole-extracting group to D 41 ; s1, s2, s3, s4, s5, and s6 are any one of integers from 0 to 3, and s1, s2, s3, s4, s5, and s6 are not simultaneously 0 in the same structural formula.

10. The perovskite solar cell according to any one of claims 1 to 9, wherein, D1 includes a substituted or unsubstituted aromatic heterocyclic group; or D 21 and one of D 22 includes a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group;D 21 and the other of D 22 includes a substituted or unsubstituted heteroarylene group; or D3 includes a substituted or unsubstituted aromatic hydrocarbon group, or a substituted or unsubstituted aromatic heterocyclic group; or D 41 and D 42 each independently comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted heteroarylene group.

11. The perovskite solar cell according to any one of claims 1 to 10, wherein D 21 , D 22 , D3, D 41 and D 42 each independently comprises a substituted or unsubstituted arylene group comprising a substituted or unsubstituted arylene group having a ring-forming atom count of C6to C15.

12. The perovskite solar cell of claim 11, wherein, The substituted or unsubstituted arylene group having a ring-forming atom number of C6to C15includes a substituted or unsubstituted arylene group of formula G 1-1 one or more of the structures shown to a substituted or unsubstituted formula G 1-3 one or more of the structures shown to a substituted or unsubstituted formula G wherein * indicates D 21 , D3, D 41 one of R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, R19, R20, # represents D 22 , D3, D 42 one of which is the point of attachment to the oxygen-containing group.

13. The perovskite solar cell according to any one of claims 1 to 12, wherein, D1, D 21 , D 22 , D3, D 41 and D 42 each independently includes a substituted or unsubstituted aromatic heterocyclic group, the substituted or unsubstituted aromatic heterocyclic group including a substituted or unsubstituted aromatic heterocyclic group having a ring-forming atom number of C5 to C15, the ring-forming atom in the substituted or unsubstituted aromatic heterocyclic group having a ring-forming atom number of C5 to C15 further including one or more atoms of nitrogen, oxygen, sulfur.

14. The perovskite solar cell according to claim 13, wherein, the substituted or unsubstituted aromatic heterocyclic group having a ring atom number of C5 to C15 includes a nitrogen atom as a ring atom, The substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes a substituted or unsubstituted formula G 2-1 one or more of the structures shown to a substituted or unsubstituted formula G 2-9 one or more of the structures shown to a substituted or unsubstituted formula G in the formula, * indicates the connecting site of one of D1, D 21 , D3, D 41 and the hole-extracting group; # indicates D1, D 22 D3, D 42 One of them is the connection site with the oxygen-containing group; and / or the substituted or unsubstituted aromatic heterocyclic group having a ring atom number of C5 to C15 includes a nitrogen atom as a ring atom, The substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes a substituted or unsubstituted formula G 3-1 one or more of the structures shown to a substituted or unsubstituted formula G 3-3 one or more of the structures shown to a substituted or unsubstituted formula G in the formula, * indicates the connecting site of one of D1, D 21 , D3, D 41 and the hole-extracting group; # indicates D1, D 22 D3, D 42 One of them is the connection site with the oxygen-containing group; and / or the substituted or unsubstituted aromatic heterocyclic group having a ring atom number of C5 to C15 includes a nitrogen atom as a ring atom, The substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes a substituted or unsubstituted formula G 4-1 one or more of the structures shown to a substituted or unsubstituted formula G 4-3 one or more of the structures shown to a substituted or unsubstituted formula G in the formula, * indicates the connecting site of one of D1, D 21 , D3, D 41 and the hole-extracting group; # indicates D1, D 22 D3, D 42 One of them is the connection site with the oxygen-containing group; and / or the substituted or unsubstituted aromatic heterocyclic group having a ring atom number of C5 to C15 includes a nitrogen atom, an oxygen atom, a sulfur atom, or a plurality of atoms selected from the group consisting of a nitrogen atom, an oxygen atom, and a sulfur atom as a ring atom, The substituted or unsubstituted heteroaromatic ring group having a ring atom number of C5 to C15 includes a substituted or unsubstituted formula G 5-1 one or more of the structures shown to a substituted or unsubstituted formula G 5-7 one or more of the structures shown to a substituted or unsubstituted formula G in the formula, * indicates the connecting site of one of D1, D 21 , D3, D 41 and the hole-extracting group; represents one of D1, D 22 , D3, D 42 one of which is the point of attachment to the oxygen-containing group.

15. The perovskite solar cell according to any one of claims 1 to 14, wherein, D1, D 21 , D 22 , D3, D 41 and D 42 each independently includes a substituted or unsubstituted alkenylene group including a substituted or unsubstituted C2to C6chain alkenylene group, or a substituted or unsubstituted cyclic alkenylene group having a ring atom number of C5to C15, in the case where the above group is substituted, the substituent group includes one or more of an amine group, a halogen group, an alkylthio group, an oxygen-containing substituent group, or a C1 to C5 alkyl group.

16. The perovskite solar cell of claim 15, wherein, the substituted or unsubstituted C2 to C6 chain alkenylene group includes a vinylene group, a propenylene group, or a butenylene group.

17. The perovskite solar cell according to any one of claims 1 to 16, wherein, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphorous acid group, a phosphoric acid group, a sulfonic acid group, a silicic acid group, a siloxane group, a boronic acid group, a carboxylate group, a phosphonate group, a sulfonate group, a silicate group, a borate group, a carboxylate ion, a phosphonate ion, a sulfonate ion, a silicate ion, a borate ion, or a silicate ion.

18. The perovskite solar cell of claim 17, wherein, the oxygen-containing group includes one or more of a carboxylic acid group, a phosphoric acid group, a boronic acid group, a carboxylate ion, a phosphonate ion, or a borate ion.

19. The perovskite solar cell according to any one of claims 1 to 18, wherein, The self-assembled molecules include one or more of compounds represented by Formula I1-1 to compounds represented by Formula I4-2, 20. The perovskite solar cell according to any one of claims 1 to 19, wherein, the functional layer is disposed on the first electrode, and is in contact with at least a part of a surface of the first electrode.

21. The perovskite solar cell of claim 20, wherein, the thickness of the functional layer is 1 nm to 30 nm.

22. The perovskite solar cell according to any one of claims 1 to 19, further comprising a hole transport layer, the functional layer being positioned between the hole transport layer and the perovskite light-absorbing layer.

23. The perovskite solar cell of claim 22, wherein, the thickness of the functional layer is 0.1 nm to 20 nm.

24. The perovskite solar cell of claim 22 or 23, wherein, the hole transport layer includes a hole transport material, the hole transport material includes a hole transport organic substance, the hole transport organic substance including one or more of poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine], poly(3,4-ethylenedioxythiophene)-polystyrene sulfonic acid, 2,2',7,7'-tetrakis[N,N-bis(4-methoxyphenyl)amino]-9,9'-spirobifluorene, poly-3-hexylthiophene, methoxytriphenylamine-fluoromethylformamide, triptycene-core triphenylamine, 3,4-ethylenedioxythiophene-methoxytriphenylamine, N-4-anilino carbazole-spirobifluorene, polythiophene, phosphonic acid-based monomer, carboxylic acid-based monomer, carbazolyl-based monomer, sulfonic acid-based monomer, triphenylamine-based monomer, or aromatic-based monomer; and / or The hole transport layer comprises a hole transport inorganic material, the hole transport inorganic material comprising one or more of a metal oxide, cuprous iodide, and cuprous thiocyanate.

25. The perovskite solar cell according to any one of claims 1 to 24, wherein, The perovskite light-absorbing layer comprises a perovskite material, the perovskite material comprising one or more of a compound of formula ABX3 or M2CDN6, A and M each independently comprise one or more of Li + , Na + , K + , Rb + , Cs + , a methylamine cation, an ethylamine cation, a propylamine cation, a butylamine cation, a pentylamine cation, a hexylamine cation, a formamidinium cation, or an imidazolium cation; B comprises one or more cations of Ca 2+ , Sr 2+ , Cd 2+ , Cu 2+ , Ni 2+ , Mn 2+ , Fe 2+ , Co 2+ , Pd 2+ , Ge 2+ , Sn 2+ , Pb 2+ , Yb 2+ , and Eu 2+ . X and N each independently comprise one or more of F - , Cl - , Br - , or I - ; C comprises Cs + , Ag + , K + or Ru + one or more. D comprises one or more of Bi 3+ , Ni 3+ , Fe 3+ , Sb 3+ , In 3+ , or Cu 3+ .

26. The perovskite solar cell of any one of claims 1 to 25, further comprising an electron transport layer, the electron transport layer being located between the perovskite light-absorbing layer and the second electrode.

27. A photovoltaic module comprising one or more perovskite solar cells as defined in any one of claims 1 to 26.

28. A power generation device comprising the photovoltaic module as defined in claim 27.

29. An electric device comprising the photovoltaic module as defined in claim 27.

30. A self-assembled molecule, the self-assembled molecule comprising one or more of a structural formula of formula I1, a structural formula of formula I2, a structural formula of formula I3, a structural formula of formula I4, The self-assembled molecules include a structural formula shown in Formula I1, In formula I1, Ar1represents a hole extraction group having a ring atom number of C10 to C30; D1comprises a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group; E1represents an oxygen-containing group; n1represents a number of connection sites of D1and Ar1, n1being any positive integer of 1 to 8; The self-assembled molecules include a structural formula shown in Formula I2, In formula I2, Ar2represents a hole extraction group having a ring atom number of C10 to C30; D 21 and D 22 one of R1and R2comprises a substituted or unsubstituted arylene group, or a substituted or unsubstituted aromatic heterocyclic group;D 21 and D 22 the other of R1and R2comprises a substituted or unsubstituted aromatic heterocyclic group, or a substituted or unsubstituted alkenyl group; E2represents an oxygen-containing group; n2 represents D 21 the number of attachment sites of Ar2, n2, is any positive integer from 1 to 8; The self-assembled molecules include a structural formula shown in Formula I3, In formula I3, Ar3represents a hole extraction group having a ring atom number of C31 to C60; D3comprises a substituted or unsubstituted arene group, a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group; E3represents an oxygen-containing group; n3represents a number of connection sites of D3and Ar3, n3being any positive integer of 2 to 8; The self-assembled molecules include a structural formula shown in Formula I4, In formula I4, Ar4represents a hole extraction group having a ring atom number of C31 to C60; D 41 and D 42 each independently comprises a substituted or unsubstituted arylene group, a substituted or unsubstituted heteroarylene group, or a substituted or unsubstituted alkenylene group; n4 represents D 41 the number of attachment sites of Ar4and n4 is any positive integer from 2 to 8; E4represents an oxygen-containing group.

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