51 results about "Radiative transition" patented technology

This application belongs to the field of luminescent materials technology, and particularly relates to a Mn 4+ Activated high-entropy fluoride red luminescent materials, their preparation methods, and applications. Including materials with the molecular formula A2X. 1‑y F6:yMn 4+ BX 1‑ y F6:yMn 4+ C3X 1‑y F6:yMn 4+ D2X 1‑y F7:yMn 4+ At least one luminescent material, wherein the A-site, C-site, and D-site are each independently selected from NH4. + Li + Na + K + 、Rb + Cs + (CH3)4N + At least one of the following: B site is selected from Ba and / or Zn; each luminescent material contains at least four metal elements at the X site, with the molar ratio of each metal element ranging from 5% to 35%, and y in each luminescent material independently satisfies 0 < y < 0.5. Through compositional design, the high-entropy fluoride matrix exhibits high disorder and large lattice distortion, which is Mn 4+ It provides a low-symmetry lattice environment, enhances radiative transitions, and significantly improves the luminescence efficiency and optical performance of various luminescent materials.

The invention belongs to the technical field of fluorescent probes, and discloses a fluorescent probe based on BODIPY targeted lipid droplets and application of the fluorescent probe. The structural formula of the fluorescent probe for targeting the lipid droplets is as follows: # imgabs0 # is as follows: due to strong electron withdrawing capability and relatively large steric hindrance of ester groups, the ester groups of the probe can rotate in an excited state, so that energy is lost through non-radiative transition, and fluorescence quenching is caused. The ester group of the probe can rotate in an excited state due to the strong electron withdrawing capability and large steric hindrance of the ester group, so that energy is lost through non-radiative transition, and fluorescence quenching is caused. And due to the introduction of the ester group, the fat solubility of the BODIPY dye is further enhanced, so that the lipid droplet targeting property of the probe is effectively improved, and no-wash imaging of lipid droplets is realized.

The invention discloses a compound and a preparation method thereof and an electronic device, the molecular structure general formula of the compound is shown in the specification, R is selected from one of the following structures, X1-X2 are respectively and independently selected from one of oxygen atoms, sulfur atoms, selenium atoms and nitrogen atoms, and X is a positive integer. X < 3 > to X < 4 > are respectively and independently selected from one of the following structures; and X < 5 > to X < 6 > are respectively and independently selected from any one of alkyl groups. According to the compound provided by the invention, the electron pushing and pulling capability in the compound is adjusted by changing the structures of a donor and an acceptor, so that the purpose of regulating and controlling molecular electron cloud distribution and energy level is achieved, and key physical properties such as emission wavelength, radiative transition rate (kr) and backlash crossing rate (kRISC) of a material are systematically regulated and controlled. The compound as a guest material of a luminescent layer has good comprehensive performance when being applied to organic electroluminescent devices for solution processing and vacuum evaporation.

The present invention relates to a carbazole-modified platinum complex luminescent material and its applications. The platinum complex is a compound having the structure of chemical formula (I). The nitrogen-containing fused ring contained in this series of materials accelerates the triplet radiative transition rate by changing the spin density distribution. This series of materials inhibits molecular aggregation through carbazole modification, reducing the intermolecular π-π effect; while improving the molecular thermal stability, it also improves the luminescence efficiency of the molecule. When this compound is applied in an organic light-emitting diode, it has a low driving voltage and a high luminescence efficiency, and can significantly improve the luminescence efficiency of the material and the device lifetime, and has the potential to be applied in the field of organic electroluminescent devices.

The invention belongs to the technical field of organic photoelectric materials, and provides a boron-nitrogen-containing multi-element heterocyclic ring material and an organic electroluminescent device comprising the same. The boron and nitrogen-containing multi-element heterocyclic ring material provided by the invention is a brand-new sensitized material and doped material with a boron and nitrogen six-element heterocyclic ring at the center of a molecular skeleton and a multi-benzene ring structure. The structure has good stability, and can inhibit molecular vibration relaxation and reduce non-radiative transition, thereby achieving a good service life. Meanwhile, the material has good high exciton utilization rate and small delta EST, intersystem crossing can be achieved more easily, and better photoelectric conversion efficiency is achieved.

The invention belongs to the technical field of organic electroluminescent materials, and particularly relates to a boron-nitrogen compound with a naphtho-carbazole structure and an organic electroluminescent device.According to the boron-nitrogen compound with the naphtho-carbazole structure, on the basis of multiple resonance nuclei of boron and nitrogen, novel conjugate extension is constructed, and the structure of the boron-nitrogen compound with the naphtho-carbazole structure is improved; the whole conjugation degree of the structure is increased, so that the structure has a relatively strong rigid conjugation skeleton, the non-radiative transition of excited state energy can be reduced, the relaxation of the excited state structure is inhibited, and the fluorescence quantum efficiency is improved; more importantly, due to the introduced naphtho-carbazole unit, the organic electroluminescent material has better electron and hole double injection capability, so that a host material and a sensitizer material can be better matched, and an OLED device prepared from the organic electroluminescent material has lower driving voltage, higher current efficiency and longer service life.

The invention belongs to the field of organic photoelectric materials, and discloses preparation and application of a D-pi-A type molecular motor. A molecule composed of a donor and an acceptor between a C = N double bond and a pi bridge has the following structures I and II: # imgabs 0 #, Ar is two donor groups, namely nitrosobenzene and N-(3, 4, 5-trimethoxyphenyl) ethylenediamine, # imgabs 1 #, imino indole and cyano indanone groups are introduced to one end of the donor, and the structure I and the structure II are shown in the specification. A D-pi-A type molecular motor material mainly based on non-radiative transition is constructed, due to the existence of C = N double bonds, a donor rotates to generate light response under illumination, the molecular motor material enables potential energy under the molecular level to be transferred, and the operation of converting absorbed light energy to near-infrared light has great prospects. Macroscopically speaking, the molecular motor is a molecular-level motor capable of converting optical energy into mechanical energy. Therefore, the introduction of C = N double bonds provides possibility for constructing a D-pi-A type molecular motor material which is mainly based on non-radiative transition. A thought is provided for the design of the molecules.

The invention discloses an acid-base response type organic room-temperature phosphorescent material based on a B-N bond and a preparation method and application thereof. The acid-base response type organic room-temperature phosphorescent material comprises a host matrix and guest molecules doped in the host matrix, the main matrix is poly (4-vinylpyridine); the guest molecule is an aromatic compound with a boric acid ester group; a dynamic B-N coordination bond is formed between boron atoms in the guest molecule and nitrogen atoms of a pyridine group in the host matrix, and the reversible phosphorescence response to an acidic atmosphere and / or an alkaline atmosphere is realized by the acid-base response type organic room temperature phosphorescence material based on the B-N bond through the formation and fracture of the dynamic B-N coordination bond. The B-N bond can also anchor molecules to inhibit non-radiative transition, promote spin-orbit coupling and induce efficient room-temperature phosphorescence. According to the invention, blue-to-red full-color gamut luminescence is realized by adjusting the structure and the concentration of the object, and the blue-to-red full-color gamut luminescent material has super-long service life and high-sensitivity reversible switching The preparation process is simple and environment-friendly, and has wide application prospects in the fields of information encryption, anti-counterfeiting and detection.

The invention provides a fused heterocyclic compound, an organic electroluminescent device and display or lighting equipment, and relates to the field of organic photoelectric materials. A multiple resonance structure is introduced, high oscillator intensity, narrow emission spectrum width and high fluorescence quantum yield in the light emitting process are achieved, and the light emitting efficiency and color purity of the device are effectively improved. Meanwhile, the introduction of a spiro skeleton significantly improves the spatial rigidity and configuration stability of molecules, reduces the conformational change in an excited state, and reduces the non-radiative transition rate, thereby enhancing the thermal stability and light stability of the device in the operation process, and prolonging the service life of the device. In addition, through multi-dimensional molecular regulation strategies of expanding a pi conjugated system (such as introducing an aromatic ring, a fused fragment or connecting an expansion unit), regulating peripheral substituents (such as electrical regulation, steric hindrance control, intramolecular hydrogen bond construction and the like) and the like, the molecular skeleton type and electronic structure diversity of the fused heterocyclic ring material are further enriched.

The invention belongs to the technical field of organic electroluminescent materials, and particularly relates to a boron-nitrogen-containing ring-fused compound and an organic electroluminescent device.According to the boron-nitrogen-containing ring-fused compound, on the basis of multiple resonance nuclei of boron and nitrogen, novel conjugate extension is constructed, the overall conjugate degree of the structure is increased, and the structure is more stable. According to the present invention, the structure has the strong rigid conjugated skeleton so as to reduce the non-radiative transition of excited state energy, the heteroatom-containing heterocyclic ring and the fused ring substitution construct the three-dimensional structure so as to inhibit the concentration quenching (energy transfer), and the combined action of the heteroatom-containing heterocyclic ring and the fused ring improves the fluorescence quantum yield of the type of the structure, and the external quantum efficiency and the service life of the device are improved.

The invention discloses a dicarbazole axially chiral fused ring compound and an organic electroluminescent device thereof, the organic compound has a structure as shown in a general formula I. A 3, 3 '-dicarbazole structural unit is used as a chiral center, a steric hindrance group is introduced to an ortho-position, and the dicarbazole axially chiral fused ring compound has a rigid and stable axially chiral structure, so that chiral induction is enhanced; one or two multi-resonance units are connected to a carbazole amino group, and a highest occupied molecular orbital (HOMO) and a lowest unoccupied molecular orbital (LUMO) are induced to be positioned on different atoms through a multi-resonance effect, so that the bonding / anti-bonding characteristic between the atoms is weakened; the change of electron density between atoms generated by radiative transition from the lowest excited state to the ground state is greatly reduced, so that telescopic vibration is reduced, and narrow spectrum emission is effectively realized; according to the present invention, with the application of the chiral-induced spin selectivity effect in the OLED light-emitting layer, the high EQE and the high circular polarization electroluminescent factor of the corresponding circular polarization electroluminescent OLED can be achieved on the basis of the chiral-induced spin selectivity effect. # imgabs0 #

The invention provides a DFT calculation model optimization method for vibration-electron interaction in an X-type dual helicene configuration, and belongs to the technical field of quantum chemistry multi-scale calculation. Firstly, experimental data of the X-type double helicene material are obtained through a spectrum technology, microscopic fine data are obtained through quantum chemistry DFT calculation, and energy barrier, vibration spectrum, electron cloud density and molecular orbital energy level data of the X-type double helicene material are obtained through combination. For a molecular aggregation state, a periodic DFT and molecular mechanics MM coupling method is adopted, an active region is described by DFT, a weak interaction region is processed by MM, and periodic characteristics of an energy band structure are calculated based on a mixed precision calculation framework. The vibration-electron interaction of the atomic scale is associated with mesoscopic characteristics such as the energy band structure and the non-radiative transition of molecules through a multi-scale coupling DFT algorithm, the macroscopic photoelectric characteristics of the material are output, and closed loop calculation from the microcosmic level to the macroscopic level is completed.

The present invention provides a high-brightness NIR-II region photothermal agent based on Aza-BODIPY, a preparation method thereof, and an application thereof, belonging to the technical field of photothermal therapy. It reveals the dual-improving mechanism of side chains in enhancing molecular brightness and photothermal performance, and side chain engineering can be used as an effective method to simultaneously regulate radiative and non-radiative transition processes. Specifically, the introduction of side chains promotes intramolecular motion in the aggregated state by further twisting the molecular conformation, extending the intermolecular distance, and providing a looser packing environment for intramolecular motion (too large side chains will cause large steric hindrance in the aggregated state), thereby promoting non-radiative transitions to generate photothermal properties. In addition, although intramolecular motion is promoted with the assistance of side chains, π-π stacking also decreases with the extended intermolecular distance, thus promoting fluorescence in the aggregated state. The introduction of alkyl chains enhances both fluorescence and photothermal properties, and can be used for photothermal therapy under fluorescence guidance.

The present application relates to the field of photoelectric technology, especially to organic light-emitting material, organic electroluminescent device and preparation thereof. The organic light-emitting material based on acephenanthrylene derivative and the organic electroluminescent device thereof, the material is fused through benzene ring, ensures that the excited state has high oscillator strength, is conducive to radiation transition, and the rigid fused ring structure can effectively inhibit intramolecular vibration, helps to inhibit the non-radiative transition behavior of the excited state and obtain high photoluminescence efficiency, in addition, the molecule can form intermolecular charge transfer aggregate to reduce the non-adiabatic coupling of electrons, so as to realize low non-radiative transition rate, further improve the photoluminescence efficiency, and also can stabilize the excited state energy, can be further applied to organic electroluminescent device, realizes high electroluminescence efficiency.

The invention provides a protein phosphorescent material as well as a preparation method and application thereof. The preparation method comprises the following steps: dissolving arylboronic acid molecules in water, mixing with a protein solution and an alkaline substance to obtain a mixed solution, carrying out dehydration condensation reaction on the mixed solution to obtain phosphorescent ink, and preparing the phosphorescent ink into the protein phosphorescent material. The preparation conditions are mild, the reaction is rapid, the protein provides a rigid environment to limit molecular thermal power such as vibration and rotation of luminescent molecules so as to inhibit non-radiative transition, and long-life organic room-temperature phosphorescence is realized. Based on the excellent processability and degradability of the fibrous protein, the prepared phosphorescent material can be processed into various material forms and is environment-friendly. In addition, phosphorescence emission is adjusted through stimulation of external conditions such as water, methanol, UV and temperature, and display and hiding of phosphorescence patterns are achieved.

The invention belongs to the field of organic photoelectric materials and biomedical treatment, and discloses a preparation method and application of an intramolecular proton transfer fluorescent material. The fluorescent molecule is constructed by constructing different receptor units on the basis of donor-receptor configuration. Ar is 3-(ethylidene amino) naphthalene-2-alcohol # imgabs 1 #. According to the invention, imino indole and cyano indanone groups are introduced to one end of a donor, so that a donor-acceptor and a charge transfer state are constructed, and meanwhile, non-radiative transition and intermolecular pi-pi accumulation of molecules in an aggregation state are inhibited; and meanwhile, the material also retains the excellent light response property of the molecular motor, and the introduction of OH bonds enables the material to inhibit the non-radiative transition process of the molecular motor through intramolecular proton transfer, so that the ratio of radiative transition is greatly increased. A thought is provided for the design of the molecules.

This invention belongs to the field of carbon materials technology, and discloses a high-nuclear-core copper fullerene complex, its preparation method, and its applications. The chemical formula of this high-nuclear-core copper fullerene complex is 6(C7H). 10 N) + [Cu 30 Cl 36 (C 60 (C7H9N) 12 ] 6‑ ·3C7H9N. In this high-nuclearity copper fullerene complex, C 60 Provides a copper source with C=C double bonds, cuprous oxide as a monovalent copper ion, benzylamine, and Cl. ‑ To assist in coordination, high-nuclear copper fullerene complexes can absorb most of the near-infrared light, and the non-radiative transitions of the molecules are greater than the radiative transitions. They have high photothermal conversion efficiency and good electrical conductivity, as well as good photothermal stability, and can be recycled multiple times.

The invention relates to the technical field of luminescent materials, in particular to a millimeter-scale nitride red fluorescent powder crystal and a preparation method and application thereof. The chemical formula of the millimeter-scale nitride red fluorescent powder crystal is as follows: Sr0.9-xCa0. 08LixAl1-xSi1 + xN3: yEu < 2 + >, x is more than or equal to 0 and less than or equal to 0.3, and y is more than or equal to 0 and less than or equal to 0.03. Li3N containing alkali metal ions is introduced into a matrix to serve as a charge compensation agent, a crystal field of the fluorescent powder is optimized and adjusted, and the characteristic that Li < + > preferentially occupies a lattice gap or replaces an Al < 3 + > / Si < 4 + > site is utilized to reduce lattice distortion and reduce generation of oxygen vacancy defects in the sintering process, so that the doping efficiency of an activator Eu < 2 + > is improved, the probability of non-radiative transition is reduced, and the service life of the fluorescent powder is prolonged. The luminous intensity, the thermal degradation performance and the anti-aging performance of the product are improved. By changing the proportion of Li < + > and alkaline earth metal Ca < 2 + > / Sr < 2 + >, the emission peak position of the product can be adjusted, and the luminous intensity and chemical stability of the fluorescent powder are also greatly improved.

The application provides an excimer acceptor material based on a nitrogen heterocycle, a preparation method and application thereof, and belongs to the technical field of organic photoelectric materials. Two excimer acceptor materials are synthesized by combining 2-phenyl-4,6 di(4-pyridine)-1,3,5-triazine with spirobifluorene and pyridine. The synthesis method is simple, the yield is high, and the excimer acceptor material has good electrochemical stability. The spirobifluorene is added to improve the molecular rigidity, reduce non-radiative transition and reduce efficiency roll-off. The pyridine is added to deepen the LUMO level, which is conducive to the development of red excimer OLED. The synthesized excimer acceptor material is combined with a donor material to form an excimer, which is used as a light-emitting layer of an organic electroluminescent device. The excimer can realize yellow light and orange red light emission, has a high external quantum efficiency, and the highest external quantum efficiency can reach 11.5%. The excimer has a wide application prospect and can be widely applied in the fields of flat panel display and solid state lighting.

The application discloses an organic-inorganic hybrid perovskite glass material with long afterglow phosphorescence and a preparation method thereof. The method is to use metal salt and organic ion salt as raw materials, and a low-cost melt quenching method without any solvent participation is used to obtain the organic-inorganic hybrid perovskite glass material with long lifetime phosphorescence. There is a strong intramolecular interaction between the metal salt anion and the organic cation, which can greatly inhibit the thermal vibration and non-radiative transition of the organic luminescent group; in addition, the formation of the glass provides a rigid molecular environment for the chromophore. The organic-inorganic hybrid perovskite glass material prepared by the application has high transparency, high hardness and high-efficiency long-lifetime phosphorescence emission performance. The preparation method of the application has low cost, simple operation and is easy to mass industrial production, and has wide application prospects in the fields of anti-counterfeiting, information security and decoration.

The invention provides yellow fluorescent powder, a preparation method thereof and an electroluminescent device, and relates to the technical field of luminescent material preparation. Benzomelamine and 4, 4 ', 4' '-nitrile triphenyl nitrile are used as raw materials to be calcined, phenyl and cyano are introduced to graphite phase carbon nitride, electron delocalization is promoted, structural conjugation is enhanced, non-radiative transition is reduced, and therefore the photoluminescence quantum yield is increased; due to the structure of graphite-phase carbon nitride and introduction of phenyl, rigidity is improved, and excellent thermal stability is achieved; the ratio of phenyl to cyano is controlled by controlling the ratio of benzotripolycyanamide to 4, 4 ', 4' '-nitrile triphenyl nitrile, so that the light-emitting wavelength of the fluorescent powder is regulated and controlled in a yellow light range.

This invention belongs to the field of chemical / biological sensing technology, and relates to the preparation method of barium acetate open framework-based probe materials and their application in L-glutamic acid detection. This invention prepares the host-guest doped material P@1 (P is 1,4-naphthalenedicarboxylic acid, and 1 is C4H6BaO4) via a solvothermal evaporation method. P@1 exhibits a visible green RTP with a duration of approximately 3 s. In terms of detection, P@1 shows a selective phosphorescence-enhanced response to L-Glu, with a detection limit of 0.938 μmol·L⁻¹. ‑1 The detection mechanism primarily involves hydrogen bonding between L-glutamic acid and P@1, which restricts the movement of guest molecules, thereby reducing non-radiative transition pathways and promoting radiative transitions, ultimately leading to enhanced phosphorescence intensity. Finally, this method was developed into a pH test strip, which exhibits significant advantages in amino acid detection, including high sensitivity, speed, simplicity, and low cost, providing a new method for efficient amino acid detection.

The invention relates to the technical field of preparation of organic photoelectric materials, in particular to a boron-nitrogen compound, an organic electroluminescent device comprising the same and application of the boron-nitrogen compound. According to the boron-nitrogen compound provided by the invention, a benzene ring is introduced to a donor unit to increase the conjugate length of a donor skeleton, so that on one hand, the HOMO energy level of luminescent molecules is regulated and controlled, and hole transport between a hole transport layer (or an electron blocking layer) and a luminescent layer is facilitated; on the other hand, the carrier transmission performance between host and guest molecules is improved; meanwhile, due to the introduction of a large-steric-hindrance spiro ring and a substituted spiro ring group, the aggregation quenching effect among luminescent molecules is effectively inhibited, and non-radiative transition is inhibited. When the boron-nitrogen compound is used as a luminescent layer material to manufacture an organic electroluminescent device, the current efficiency of the device is improved, the service life of the device can be greatly prolonged, and the boron-nitrogen compound has better application value.

The present invention relates to a thermally activated delayed fluorescent material, and more specifically to a thermally activated delayed fluorescent material having both dual charge transfer channels and aggregation-induced emission properties, and its application. By using rigid indolequinoxaline as an electron acceptor unit, introducing electron-donating triphenylamine at positions 6 and 8, and electron-withdrawing cyano at positions 2 and 3, a near-infrared TADF material with both dual CT channels and AIE properties was constructed. The material has three distinct characteristics: aggregation-induced emission, a redshift in the emission wavelength, and an accelerated anti-gap crossing rate and weakened non-radiative transitions, which are beneficial for improving the material's luminescence performance. Therefore, this type of dual-CT channel TADF material exhibits a quantum yield of up to 83.8% in a 10wt% CBP-doped thin film; and 716nm near-infrared emission was obtained in a solution-processed pure film device, with an external quantum efficiency of 0.408%.

The invention relates to the technical field of synthesis of luminescent materials, and particularly provides a Sb (III)-based metal halide glass material and a preparation method thereof. The chemical expression of the material is as follows: (C18H15S) 2SbCl5, the glass material has an isotropic amorphous structure. The method comprises the following steps: step 1, coprecipitating antimony chloride and organic sulfonium salt in a DMF (Dimethyl Formamide) solution to obtain a product; 2, melting the heating product at a first preset temperature to obtain a precursor; 3, heating the precursor at a second preset temperature to obtain a clear and transparent mixed solution; and step 4, pouring the clear and transparent mixed solution into a mold to obtain the Sb (III)-based metal halide glass. In the material provided by the invention, the isotropic distribution characteristic provided by a glass disordered network, the strong local light-emitting mechanism of the Sb-Cl coordination unit and the dual limitation of organic cations on structure and energy migration jointly inhibit the formation of a non-radiative transition channel under a heating condition, so that the (C18H15S) 2SbCl5 glass material shows better thermal stability.

The invention discloses a design and preparation method of a series of D-A type organic polymer materials and photo-thermal performance research of the D-A type organic polymer materials. The three synthesized polymer photo-thermal materials are all prepared by taking [1, 2, 5] thiadiazole [3, 4-g] quinoxaline-6, 7-dicarboxylate (BTQ) as acceptors and adopting three donor groups with different conjugation degrees, and charge transfer in molecules is enhanced by introducing BTQ strong electron-withdrawing acceptor groups, so that red shift of an absorption spectrum is promoted. Secondly, after long-chain alkyl is introduced into a D-A main chain, a larger intramolecular rotation space is provided for the polymer, so that non-radiative transition is enhanced, and the photothermal conversion efficiency is improved. In addition, by comparing the photo-thermal properties of the three, the interaction mechanism of conjugate extension and molecular movement is explored. The D-A type organic photo-thermal material with excellent solar spectrum matching characteristic and high non-radiation decay capability is finally developed, and the D-A type organic photo-thermal material has important scientific significance and application value in the photo-thermal field.

The invention discloses a polycrystalline organic eutectic material as well as a preparation method and application thereof, and belongs to the technical field of organic luminescent materials. According to the invention, a polycrystalline organic eutectic crystal 1-BrTC composed of an electron acceptor TCNB and an electron donor 1-BrDBT is synthesized. And carrying out self-assembly in different crystallization environments to obtain two polycrystalline crystals with obviously different emission colors, which are respectively named as g-eutectic and y-eutectic. Experimental results show that spin-orbit coupling is enhanced through multiple halogen bond effects in the g-eutectic, intersystem crossing and anti-intersystem crossing processes are remarkably accelerated, and thermal activation delayed fluorescence emission is enhanced. Besides thermally activated delayed fluorescence, singlet radiation attenuation and triplet non-radiative transition are inhibited by stronger hydrogen-bond interaction in the y eutectic, and room-temperature phosphorescence emission is realized. A new thought is provided for effective utilization of triplet excitons in the polycrystalline organic eutectic, and reasonable design of a novel luminescent material is facilitated.

The application belongs to the technical field of organic photoelectric materials, and provides a boron-nitrogen-containing multi-heterocyclic material and an organic electroluminescent device containing the same. The boron-nitrogen-containing multi-heterocyclic material provided by the application is a novel sensitization material and a doping material with a boron-nitrogen six-membered heterocyclic ring as a molecular skeleton center and containing a multi-benzene ring structure. The structure has good stability, can inhibit molecular vibration relaxation and reduce non-radiative transition, and thus a better service life is achieved. Meanwhile, the material has good high-exciton utilization and small ΔEST, can more easily realize intersystem crossing, and achieve better photoelectric conversion efficiency.

The present disclosure provides an active region unit of a quantum cascade laser having an inclined transition property. The active region unit sequentially includes, from top to bottom: an injection region for providing an injection energy state; a gain region for providing an upper emission energy state and a lower emission energy state, wherein the upper emission energy state is greater than the lower emission energy state, and the radiative transition from the upper emission energy state to the lower emission energy state is an inclined transition, and the injection energy state is greater than the upper emission energy state; and a relaxation region for providing relaxation energy states, the relaxation energy states including a top energy state and a bottom energy state, wherein the top energy state is less than the lower emission energy state; wherein the injection region, the gain region, and the relaxation region are all made of semiconductor materials. The present disclosure also provides an active region, an epitaxial structure, and a chip of a quantum cascade laser.

The application provides a DFT calculation model optimization method for vibration-electron interaction in X-type double-spiralene configuration, and belongs to the technical field of quantum chemistry multi-scale calculation; first, experimental data of X-type double-spiralene material is obtained through spectral technology, and microscopic detailed data is obtained through quantum chemistry DFT calculation, so that the energy barrier, vibration spectrum, electron cloud density and molecular orbital energy level data of the X-type double-spiralene material are obtained. For the molecular aggregate state, the periodic DFT and molecular mechanics MM coupling method is used, the active area is described by DFT, and the weak interaction area is processed by MM, and the periodic characteristics of the energy band structure are calculated based on the mixed precision calculation framework. The multi-scale coupled DFT algorithm is used to correlate the vibration-electron interaction at the atomic scale with the energy band structure, non-radiative transition and other mesoscopic characteristics of the molecule, and the macroscopic photoelectric characteristics of the material are output, so that the calculation closed loop from the micro to the macro is completed.