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87 results about "Molecular orbital" patented technology

In chemistry, a molecular orbital (MO) is a mathematical function describing the wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The term orbital was introduced by Robert S. Mulliken in 1932 as an abbreviation for one-electron orbital wave function. At an elementary level, it is used to describe the region of space in which the function has a significant amplitude. Molecular orbitals are usually constructed by combining atomic orbitals or hybrid orbitals from each atom of the molecule, or other molecular orbitals from groups of atoms. They can be quantitatively calculated using the Hartree–Fock or self-consistent field (SCF) methods.

Iridium-containing metal heterocyclic phosphorescent doped material and organic electroluminescent device

The invention belongs to the technical field of organic electroluminescent materials, and provides an iridium-containing heterocyclic phosphorescent doping material and an organic electroluminescent device.The doping material has a compound general formula shown in the formula I. Quinoline and a naphthalene ring are connected through silane or germane, and a silicon or germanium six-membered heterocyclic structure is formed. And reacting with iridium metal and a diketone monomer to obtain the iridium metal heterocyclic phosphorescent organic light-emitting material. The heteroatom silicon or germanium in the material can adjust molecular orbital HOMO and LUMO energy levels, and the polarity effect of heteroatoms promotes electron migration, reduces interface potential barriers and electron injection barriers, reduces carrier injection loss and improves carrier mobility, so that driving voltage is reduced, and the external quantum efficiency of a device is improved. In addition, the silicon or germanium heterocyclic ring has better rigidity, so that the overall stability of the structure is enhanced, and the rigid structure can prolong the service life of the device.
Owner:JILIN OPTICAL & ELECTRONICS MATERIALS CO LTD

Method for measuring first electron affinity of semiconductor film material

The invention discloses a method for measuring first electron affinity of a semiconductor film material, which belongs to the field of surface interface analysis and comprises a calibration step, a test step and a calculation step. According to the method, a vacuum ultraviolet light electron energy spectrum system and a reflective electron energy spectrum system are carried in a main ultrahigh vacuum chamber, and an ultraviolet light electron energy spectrum technology and a reflective electron energy spectrum technology are combined, so that a secondary electron cut-off side energy position and a work function relative to a Fermi level can be obtained; in addition, the position of the conduction band bottom or the position of the lowest unoccupied molecular orbital can be obtained, the first electron affinity value of the semiconductor film material can be further obtained through calculation, and the measurement method is convenient, simple in operation process, high in accuracy and high in universality.
Owner:BEIJING INST OF TECH

Method for condensing carbonyl structure based on boron-nitrogen compound

The invention belongs to the technical field of organic electroluminescent materials, and particularly relates to a method for condensing a carbonyl structure based on a boron-nitrogen compound, which comprises the following steps of: finally condensing a carbonyl group which influences the energy level of a leading line molecular orbital and electron cloud distribution on the basis of the boron-nitrogen compound; according to the method, the electron withdrawing group can be directly introduced into the HOMO site of the boron-nitrogen compound molecule to form a B / N / C = O system, and the B / N / C = O system is applied to an organic electroluminescent device. According to the system, a multi-resonance thermal activation delayed fluorescence (MR-TADF) material molecular library is expanded, and a certain basis is provided for designing a thermal activation delayed fluorescence OLED material closer to commercialization requirements in the future.
Owner:吉林大学重庆研究院 +1

Crystalline luminescent material with step-by-step stimulus response as well as preparation method and application of crystalline luminescent material

The invention belongs to the technical field of organic light-emitting materials, and particularly relates to a step-by-step stimuli-responsive crystalline light-emitting material and a preparation method and application thereof. The crystalline luminescent material is a crystalline material based on a polysulfide aromatic hydrocarbon type compound, and the polysulfide aromatic hydrocarbon type compound is a compound based on a tetrathiobenzene mother nucleus. The compound does not have a photoluminescence discoloration property in a crystalline state, but has an obvious photoluminescence discoloration property after the crystallinity is reduced through force stimulation; and the wavelength and proportion of fluorescence / phosphorescence of the compound and the molecular orbital of an excited state can be controlled by adjusting related substituents, so that the optical property is adjustable. The high-crystallinity material prepared from the compound has a response effect on step-by-step stimulation of force and light, so that the high-crystallinity material can be applied to encryption anti-counterfeiting, information storage and the like. The application scenarios include currency anti-counterfeiting, certificate anti-counterfeiting, commodity package anti-counterfeiting, bill anti-counterfeiting, artwork anti-counterfeiting, electronic equipment anti-counterfeiting, logistics anti-counterfeiting, supply chain anti-counterfeiting and the like.
Owner:FUDAN UNIVERSITY

Screening method for collectors for simultaneous enrichment of lead and silver based on coordination chemistry and electrochemistry

The present invention discloses a screening method for a collector for the simultaneous enrichment of lead and silver based on coordination chemistry and electrochemistry, comprising: obtaining electrochemical information on the solid-solid interaction between silver minerals and galena; obtaining galena, silver minerals, and their potential target ore-loving groups, and outputting a chk file; analyzing and quantitatively calculating the chk file to obtain orbital shapes and energy level information of the frontier molecular orbitals of the relevant minerals and ore-loving groups; preliminarily determining the target ore-loving groups of the silver minerals; thermodynamically determining whether the preliminarily determined target ore-loving groups have better adsorption properties for silver minerals than other ore-loving groups; and calculating the solvation free energy of derivatives of the target ore-loving groups with different carbon chain lengths and shapes to determine the final ore-loving agent. The present invention combines sulfide mineral flotation electrochemistry with flotation coordination chemistry for the first time, overcoming the limitations of previous agent screening designs and providing a new method for the research and development of special collectors for co-existing rare metal resources.
Owner:CENT SOUTH UNIV

Pure organic room-temperature phosphorescent material and preparation method thereof

The invention discloses a pure organic room-temperature phosphorescent material and a preparation method thereof, and relates to the technical field of organic phosphorescent materials. The structural formula of the pure organic room-temperature phosphorescent material is as follows: R1 and R2 are independently selected from substituted or non-substituted alkyl, and R3 and R4 are independently selected from hydrogen, substituted alkoxy or non-substituted alkoxy. According to the present invention, the rotation resistance covalent bond is introduced between the electron donor and the electron acceptor, such that the electron donor and the electron acceptor cannot be coplanar so as to achieve stable ground state-excited state molecular orbital separation; an ester group with lone pair electrons is introduced to a proper position on an electron acceptor, so that the ester group is overlapped with a molecular orbit of an electron donor through the lone pair electrons, thereby providing an n-pi transition path in a triple excited state, and further greatly improving kP. Compared with the existing pure organic room-temperature phosphorescent material, the kP of the pure organic room-temperature phosphorescent material provided by the invention is improved by one order of magnitude, and stable phosphorescent emission can be realized in air.
Owner:SHENZHEN UNIV

Quantum dot electroluminescent device having light-emitting layer disorder‑gradient and manufacturing method therefor

PCT designated stage expiredWO2025000667A1Electron holeChemical physics
The present invention relates to the field of electroluminescent devices, and particularly relates to a quantum dot electroluminescent device having a light-emitting layer disorder-gradient. The device comprises a substrate, a device anode, a hole injection layer, a hole transport layer, a quantum dot light-emitting layer, an electron transport layer, and a device cathode which are sequentially arranged. The quantum dot light-emitting layer is formed by stacking a plurality of colloidal nanocrystal single-layer self-assembled films, each single-layer self-assembled film has the same density of electronic states distribution average energy and nanocrystal average size, and the density of electronic states distribution widths and nanocrystal size distribution widths of the highest occupied molecular orbital and the lowest unoccupied molecular orbital of each single-layer self-assembled film decrease monotonically in the normal direction of the substrate with the increase of the distance from a hole transport layer-quantum dot layer interface, and finally tend to be constant values. According to the solution, a breakthrough of the solution of boosting hole injection on the basis of an energy level matching theory is achieved, a hole injection barrier between the hole transport layer and the quantum dot layer is reduced by means of a disorder-gradient gradual change, and the light emitting performance of the device is improved.
Owner:SUZHOU UNIV

Organic electroluminescent element and electronic apparatus

PendingJP2025019989AFluorescenceRefractive index
To provide an organic electroluminescent element capable of improving a light emission efficiency.SOLUTION: An organic electroluminescent element contains: a first layer 71 that is contained between a positive electrode 3 and a light emission layer 5; a second layer 72 that is contained between the first layer 71 and the light emission layer 5; and a third layer 73 that is contained between the positive electrode 3 and the first layer 71. The light emission layer 5 contains a delayed fluorescence property chemical compound as a second chemical compound, and a percentage content of the second chemical compound in the light emission layer 5 is 30 mass% or more and 50 mass% or less. The first layer 71 contains a fourth chemical compound, and the second layer 72 contains a fifth chemical compound. The third layer 73 contains a sixth chemical compound. Those compounds satisfy the following mathematical formula (a numerical expression 41) and mathematical formula (a numerical expression 42) in the organic electroluminescent element. (The numerical expression 41): |HOMO(M5)|≥5.70 eV, and (the numerical expression 42): NM6>NM4 (the HOMO(M5) is an energy level of the highest occupied molecular orbital of the fifth chemical compound, the NM4 is a refraction factor of the fourth chemical compound, and the NM6 is a refraction factor of the sixth chemical compound).SELECTED DRAWING: Figure 1
Owner:IDEMITSU KOSAN CO LTD

Quantum dot luminescent material, quantum dot patterning method, quantum dot film and display device

A quantum dot luminescent material, a quantum dot patterning method, a quantum dot film, and a display device. The quantum dot luminescent material includes a plurality of quantum dots; a plurality of ligands attached to the quantum dots; a plurality of crosslinking reactants configured to undergo a crosslinking reaction to connect at least two of the quantum dots and the crosslinking reactants being a plurality of crosslinking molecules or a plurality of crosslinking groups; wherein the quantum dots and the crosslinking reactants satisfy at least one of Condition (1), Condition (2), or a combination thereof: Condition (1): the crosslinking reactants have a lowest unoccupied molecular orbital (LUMO) energy level that is located outside a bandgap of the quantum dots; and Condition (2): the crosslinking reactants have a highest occupied molecular orbital (HOMO) energy level that is located outside the bandgap of the quantum dots.
Owner:YUNGU GUAN TECH CO LTD

Luminescent auxiliary material as well as preparation method and application thereof

The invention provides a light-emitting auxiliary material and a preparation method and application thereof, and belongs to the technical field of light-emitting materials, the structural formula of the light-emitting auxiliary material is shown in the general formula I. The light-emitting auxiliary material takes 9, 9-phenylalkyl fluorene as a parent nucleus, aryl and arylamine groups are connected to the two sides of fluorene of the 9, 9-phenylalkyl fluorene respectively, 9-phenylalkyl fluorene has relatively high glass transition temperature and quantum fluorescence efficiency, the stability and luminous efficiency of the compound can be effectively improved, the energy levels of the highest occupied molecular orbital and the lowest unoccupied molecular orbital can be flexibly adjusted by introducing an electron-donating group arylamine, and the energy barrier of hole injection can be effectively reduced; meanwhile, the other side is connected with an aryl group, so that a conjugated system can be effectively extended, a fluorescence quenching phenomenon caused by intermolecular pi-pi accumulation and excessive molecular aggregation is reduced, the service life of an OLED (Organic Light Emitting Diode) device can be effectively prolonged, the luminous efficiency of the OLED device can be effectively improved, and the driving voltage can be reduced by utilizing the light-emitting auxiliary material.
Owner:JILIN OPTICAL & ELECTRONICS MATERIALS CO LTD

A type of quinoline acridine-5,9-dione MR-TADF red light luminescent material and its preparation method and application

The present invention discloses a class of quinoacridine-5,9-diketone MR-TADF red light emitting materials and their preparation methods and applications, belonging to the technical field of organic photoelectric materials. The molecules of this type of material promote the minimization of bonding / antibonding of frontier molecular orbitals through the resonance effect generated by electron-deficient nitrogen / carbonyl and electron-rich oxygen / nitrogen. In addition, the rigid conjugated skeleton suppresses the structural relaxation of the molecular excited state and the vibration coupling between the excited state and the ground state, thereby obtaining a red light emitting material with a narrow half-width (<70nm) and high luminous efficiency; the introduction of a tert-butyl group on the periphery of the molecule can reduce the reorganization energy of the molecule; grafting different substituent units can regulate the stacking and film-forming properties of the molecule. The maximum emission peak of the obtained doped red light electroluminescent device is located at 601 nm, the half-width is 68 nm, and the corresponding maximum external quantum efficiency is 9.38%, which has a wide range of applications in the fields of organic electroluminescent displays and biological imaging.
Owner:CHANGZHOU UNIV

Quinolinacridine-5, 9-dione MR-TADF red light emitting material as well as preparation method and application thereof

The invention discloses a quinolinacridine-5, 9-dione MR-TADF red light emitting material as well as a preparation method and application thereof, and belongs to the technical field of organic photoelectric materials. Molecules of the material generate a resonance effect through electron-deficient nitrogen / carbonyl and electron-rich oxygen / nitrogen, minimization of bonding / anti-bonding of a leading edge molecular orbital is promoted, in addition, a rigid conjugated skeleton inhibits structural relaxation of a molecular excited state and vibration coupling between the excited state and a ground state, and therefore, the stability of the material is improved. The red light emitting material with narrow half-peak width (less than 70nm) and high luminous efficiency is obtained; tert-butyl is introduced to the periphery of the molecule, so that the recombination energy of the molecule can be reduced; by grafting different substituent units, the accumulation and film-forming properties of molecules can be regulated and controlled. The maximum emission peak of the obtained doped red light electroluminescent device is 601 nm, the half-peak width is 68 nm, the corresponding maximum external quantum efficiency is 9.38%, and the doped red light electroluminescent device has wide application in the fields of organic electroluminescent displays, biological imaging and the like.
Owner:CHANGZHOU UNIV

Boron-containing polycyclic compound and organic photoelectric element containing same

The invention discloses a boron-containing polycyclic compound and an organic photoelectric element containing the same, and belongs to the field of organic photoelectricity. The boron-containing polycyclic compound has a structure as shown in a formula (1) or a formula (2). According to the compound, a boron-containing skeleton and a carbazole derivative are fused through intramolecular conjugation expansion, and a novel rigid unit is constructed. The conjugated fusion not only integrates the electron transport capability of a boron-containing skeleton and the hole transport characteristic and high triplet state energy level of carbazole, but also effectively increases the orbital delocalization range and significantly reduces the singlet state-triplet state energy level difference (delta EST) by reconstructing the distribution of a front line molecular orbital, thereby enhancing the reverse intersystem crossing rate (kRISC) of the compound, and enhancing the efficiency of the compound. And the utilization efficiency of triplet excitons is obviously promoted. When the material is used as a host material to be applied to an organic light-emitting diode, efficient and directional transfer of energy to an object can be ensured, the efficiency of a device is improved, the stability of the device is improved, and the material has a good commercialization prospect.
Owner:EAST CHINA NORMAL UNIV

Deep highest occupied molecular orbital (HOMO) emitter device structures

The invention relates to a deep highest occupied molecular orbital (HOMO) emitter device structure. Embodiments of the disclosed subject matter provide an organic light emitting diode (OLED) having an anode, a cathode, an emissive layer disposed between the anode and the cathode, and a hole blocking layer disposed between the emissive layer and the cathode. The emissive layer may include a phosphorescent dopant, wherein the phosphorescent dopant has emission with a peak maximum wavelength greater than or equal to 600 nm in a 0.5% doped poly (methyl methacrylate) PMMA thin film at room temperature. The highest occupied molecular orbital HOMO energy of the phosphorescent dopant may be less than or equal to-5.1 eV, and the HOMO energy of the hole blocking layer is at least 0.1 eV lower than the HOMO energy of the phosphorescent dopant.
Owner:UNIVERSAL DISPLAY CORP

A method for measuring the first electron affinity of semiconductor thin film materials

ActiveCN119224027Bimprove accuracyEasy to measureUltra-high vacuumElectron spectroscopy
The present invention discloses a method for measuring the first electron affinity of semiconductor thin film materials, which belongs to the field of surface and interface analysis. The measuring method includes: a calibration step, a testing step and a calculation step. The method carries a vacuum ultraviolet photoelectron spectroscopy system and a reflected photoelectron spectroscopy system in a main ultrahigh vacuum chamber. By combining the ultraviolet photoelectron spectroscopy technology with the reflected photoelectron spectroscopy technology, not only the secondary electron cutoff edge energy position and work function relative to the Fermi level can be obtained, but also the conduction band bottom position or the lowest unoccupied molecular orbital position can be obtained, and the first electron affinity value of the semiconductor thin film material can be further obtained by calculation. The measuring method is convenient, the operation process is simple, the accuracy is high, and the universality is strong.
Owner:BEIJING INST OF TECH

Information output program, information output method, and information processing device

To enable provision of active space information that contribute to quantum chemistry computation.SOLUTION: An information output program disclosed herein causes a computer to perform processes of: acquiring occupancy data including a time series of occupancy of each of multiple molecular orbits, performing principal component analysis of the occupancy data, and outputting information on an active space corresponding to a subset of the multiple molecular orbits used for quantum chemistry computation on the basis of a result of the principal component analysis.SELECTED DRAWING: Figure 1
Owner:FUJITSU LTD

Information output program, information output method, and information processing device

An information output program for causing a computer to execute a process includes acquiring occupancy number data that includes a time series of occupancy numbers for each of a plurality of molecular orbitals, executing principal component analysis on the occupancy number data, and outputting information on an active space that corresponds to a subset used for a quantum chemical calculation, among the plurality of molecular orbitals, based on a result of the principal component analysis.
Owner:FUJITSU LTD

Organic electroluminescence element, electronic device, composition, and mixture powder

An organic EL device includes an emitting region and a first anode side organic layer. The first anode side organic layer contains a first material. The emitting region includes a first emitting layer containing first and second host materials and a second emitting layer containing a third host material. Energy levels of highest occupied molecular orbitals of the first material, the first host material, and the second host material HOMO(HT1), HOMO(H1), and HOMO(H2) satisfy a relationship of a numerical formula (Numerical Formula A1) below, and triplet energies of the first host material, the second host material, and the third host material T1(H1), T1(H2), and T1(H3) satisfy relationships of numerical formulae (Numerical Formula A2 and Numerical Formula A3) below,HOMO⁡(HT⁢1)>HOMO⁡(H⁢2)>H⁢O⁢M⁢O⁡(H⁢1)(Numerical⁢ Formula⁢ A⁢1)T1(H⁢1)>T1(H⁢3)(Numerical⁢ Formula⁢ A⁢2)T1(H⁢2)>T1(H⁢3).(Numerical⁢ Formula⁢ A⁢3)
Owner:IDEMITSU KOSAN CO LTD

Dicarbazole axially chiral fused ring compound and electroluminescent device thereof

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 #
Owner:CHENGDU VITUOLI FLEXIBLE ELECTRONICS TECH CO LTD

Boron-containing thermally activated delayed fluorescence material and applications thereof

A kind of boron-containing thermally activated delayed fluorescence material and its application belong to electroluminescent material technical field.The present application relates to organic electroluminescent technical field.In the material, boron-nitrogen resonance skeleton is integrated with donor-acceptor unit in molecular design, boron-nitrogen resonance skeleton is used as electron acceptor unit, and strong electron donor unit is connected by reasonable space and electronic structure, and unique synergistic effect is generated.The material can accurately control the distribution and overlap degree of highest occupied molecular orbital and lowest unoccupied molecular orbital, promote efficient reverse intersystem crossing (RISC), and effectively inhibit the molecular structure relaxation when electron transition, so as to realize narrow-band emission.In the prepared OLED device, narrow-band emission and high external quantum efficiency are realized at the same time.This kind of material has broad application prospect in next-generation high-definition display and lighting devices.
Owner:DALIAN UNIV

Boron-nitrogen covalent bond-containing fused ring compound and electroluminescent device thereof

The invention discloses a condensed ring compound containing a boron-nitrogen covalent bond and an organic electroluminescent device thereof, the organic compound has a structure as shown in a general formula I, and a highest occupied molecular orbital (HOMO) and a lowest unoccupied molecular orbital (LUMO) are induced to be positioned on different atoms through a multiple resonance effect, so that the bonding / anti-bonding characteristic between the atoms is weakened. According to the invention, 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 the telescopic vibration is reduced, and narrow spectrum emission is effectively realized.
Owner:CHENGDU VITUOLI FLEXIBLE ELECTRONICS TECH CO LTD

1Optoelectronic component and method for producing the same

Optoelectronic component (100) comprising: a substrate (102); a first electrode (104) disposed on the substrate (102) and having a first reflective surface (104a); a second electrode (112) disposed above the first electrode (104) and having a second reflective surface (112a), the second reflective surface (112a) and the first reflective surface (104a) being configured to form an optical cavity; a first layer (106) comprising a first material disposed between the first reflective surface (104a) and the second reflective surface (112a); a second layer (108) comprising a second material disposed between the first layer (106) and the second reflective surface (112a), the second material being different from the first material; and a third layer (110) comprising a third material disposed between the first layer (106) and the second layer (108), the third material being different from the first material and the second material, wherein the second material has a highest occupied molecular orbital (218-1) having a higher energy than the highest occupied molecular orbital (220-1) of the third material, and a lowest unoccupied molecular orbital (218-2) having a higher energy than the lowest unoccupied molecular orbital (220-2) of the third material, and the third material has a highest occupied molecular orbital (220-1) having a higher energy than the highest occupied molecular orbital (216-1) of the first material, and a lowest unoccupied molecular orbital (220-2) having a higher energy than the lowest unoccupied molecular orbital (216-2) of the first material; wherein the first material, the second material and the third material each comprise at least one organic material or a compound of at least one organic material and the energy levels of the first material, the second material and the third material are arranged such that when the optoelectronic component (100) is irradiated by means of an electromagnetic wave, - charge carrier pairs consisting of a charge carrier of a first type and a charge carrier of a second type are generated in the third layer (110) by absorption of the electromagnetic wave in the third material, - the charge carrier pairs generated in the third layer (110) are separated at the interface of the third layer (110) to the first or second layer (106, 108), wherein • Charge carriers of the first type of a charge carrier pair generated in the third layer (110) are transferred from the third layer (110) to the first layer (106) when a charge carrier pair generated in the third layer (110) comes to the interface between the first layer (106) and the third layer (110); • the transfer of charge carriers of the second type of a charge carrier pair generated in the third layer (110) to the first layer (106) is prevented when a charge carrier pair generated in the third layer (110) comes to the interface between the first layer (106) and the third layer (110); • Charge carriers of the second type of a charge carrier pair generated in the third layer (110) are transferred from the third layer (110) to the second layer (108) when a charge carrier pair generated in the third layer (110) comes to the interface between the second layer (108) and the third layer (110); and • the transfer of charge carriers of the first type of a charge carrier pair generated in the third layer (110) to the second layer (108) is prevented when a charge carrier pair generated in the third layer (110) comes to the interface between the second layer (108) and the third layer (110); - the transferred charge carriers of the first type in the first layer (106) are transported to the first electrode (104), and - the transferred charge carriers of the second type in the second layer (108) are transported to the second electrode (112), wherein the third layer (110) consists of at least two individual parts of the third material, wherein the individual parts are spaced from each other by a gap, so that the third layer (110) is arranged as a non-closed layer, and wherein the third layer (110) is arranged such that it is located in a maximum of a longitudinal mode of the electromagnetic wave when the optoelectronic component (100) is irradiated by means of the electromagnetic wave.
Owner:CARL ZEISS MICROSCOPY GMBH

Quantum dot luminescent material, quantum dot patterning method, quantum dot film and display device

The invention discloses a quantum dot luminescent material, a quantum dot patterning method, a quantum dot film and a display device. The quantum dot luminescent material comprises a plurality of quantum dots, a plurality of ligands and a plurality of cross-linking reactants, wherein the ligands are connected with the quantum dots; the cross-linking reactant is configured to perform a cross-linking reaction to connect at least two quantum dots, and the cross-linking reactant is a cross-linking molecule or a cross-linking group; the quantum dot and the crosslinking reactant meet at least one of the following conditions: the lowest unoccupied molecular orbital (LUMO) energy level of the crosslinking reactant is located outside the band gap of the quantum dot; the highest occupied molecular orbital (HOMO) energy level of a crosslinking reactant is located outside the band gap of the quantum dot. The quantum dot light-emitting layer prepared from the quantum dot light-emitting material provided by the invention can reduce or prevent photon-generated carriers generated by quantum dot excitation from being transferred to a cross-linking reactant to a certain extent, so that the performance of a display device is improved.
Owner:YUNGU GUAN TECH CO LTD

Light-emitting device and electronic apparatus including the same

PendingUS20250143177A1EngineeringHole transport layer
Provided is a light-emitting device in which a highest occupied molecular orbital (HOMO) energy value of an energy level linking compound (HOMOC) and a HOMO energy value of a hole transport layer (HOMOHTL) satisfy Condition (1):HOMOC−HOMOHTL≤0.15 eV.  Condition (1)
Owner:SAMSUNG DISPLAY CO LTD

Display apparatus and method of manufacturing the same

A display apparatus includes a substrate, a first electrode on the substrate, a second electrode on the first electrode, an emission layer between the first electrode and the second electrode, and a hole transport layer located between the first electrode and the emission layer, and including a first mixed layer in which a first material and a second material different from the first material are mixed with each other, wherein an absolute value of a difference between a Highest Occupied Molecular Orbital (HOMO) energy level of the first material and a HOMO energy level of the second material is about 0.3 eV or less.
Owner:SAMSUNG DISPLAY CO LTD

High-throughput screening method, device and equipment for molecules, storage medium and product

The invention discloses a high-throughput screening method, device and equipment of molecules, a storage medium and a product, relates to the technical field of organic materials, and discloses the high-throughput screening method of the molecules, which comprises the following steps: obtaining a molecular orbit descriptor of a to-be-screened molecule; the molecular orbital descriptors are input into a preset prediction model, the energy level difference of the to-be-screened molecules is predicted, and the preset prediction model is obtained by training a basic machine learning model with the molecular orbital descriptors of the sample D-A-D molecules as input and the energy level difference of the sample D-A-D molecules as output; and screening target molecules meeting a preset ranking from the to-be-screened molecules based on the descending order of the energy level differences. By acquiring the molecular orbit descriptor of each to-be-screened molecule, the hybrid part in the D-A-D molecule is simplified, the difficulty of screening the molecule according to the hybrid part is reduced, and the screening accuracy is improved by utilizing the preset prediction model, so that the high-throughput screening efficiency of the molecule is improved.
Owner:SHENZHEN MSU-BIT UNIVERSITY

A method for studying the interaction of a new pollutant with DNA

The application discloses a research method for interaction between a new pollutant and DNA, and the method comprises the following steps: using a DFT method in quantum chemistry calculation software to optimize the molecular structure of the new pollutant and deoxy nucleoside; using Multiwfn software to obtain the contribution of each atom to a molecular orbital and atomic charge distribution; finding an electrophilic site of the new pollutant and a nucleophilic site of the deoxy nucleoside; using molecular docking software to perform docking calculation on the new pollutant and a double-stranded DNA fragment and search for an optimal combination position; using a UV-Vis ultraviolet spectrophotometer to perform ultraviolet spectrum titration on the interaction between the new pollutant and the double-stranded DNA; using a super high performance liquid chromatography-mass spectrometry method to perform gradient elution, detecting the deoxy nucleoside through a multiple reaction detection method, calculating a reaction rate, and identifying a deoxyribose unit prone to adduct reaction with the new pollutant; and analyzing the detection result.
Owner:ZHEJIANG UNIV

Boron-containing thermal activation delayed fluorescence material and application thereof

The invention discloses a boron-containing thermal activation delayed fluorescent material and application thereof, and belongs to the technical field of electroluminescent materials. The invention relates to the technical field of organic electroluminescence. In the material, a boron-nitrogen resonance skeleton and a donor-acceptor unit are subjected to integrated molecular design, and the boron-nitrogen resonance skeleton is used as an electron acceptor unit and is connected with a strong electron donor unit through a reasonable space and an electron structure to generate a unique synergistic effect. The material can accurately regulate and control the distribution and overlapping degree of the highest occupied molecular orbital and the lowest unoccupied molecular orbital, promotes efficient reverse intersystem crossing (RISC), and effectively inhibits molecular structure relaxation during electron transition, thereby realizing narrow-band emission. And narrow-band emission and high external quantum efficiency can be simultaneously realized in the prepared OLED device. The material has a wide application prospect in next-generation high-definition display and illumination devices.
Owner:DALIAN UNIV

Preparation method and application of near-infrared material containing 3, 4-ethylenedioxythiophene

The invention belongs to the field of organic photoelectric materials and biomedical treatment, and discloses a preparation method and application of a near-infrared material taking 3, 4-ethylenedioxythiophene as a pi bridge. On the basis of increasing the conjugation degree, the near-infrared material is constructed by constructing different donor units. According to the invention, 3, 4-ethylenedioxythiophene (EDOT) is used as a pi bridge to increase the degree of conjugation, cyano indanone is used as an electron withdrawing group and is connected with a plurality of donors, and two D-pi-A type near-infrared molecules are designed and synthesized. Cyanoindigo ketone has very strong electron withdrawing capability, can realize low LUMO (lowest unoccupied molecular orbital) energy level, and can also form strong pi accumulation, so that high electron mobility can be obtained, and the preparation of near-infrared materials is realized by enhancing mechanisms such as conjugated chain length and intramolecular charge transfer. A thought is provided for the design of the molecules.
Owner:GUILIN UNIVERSITY OF TECHNOLOGY

Organic light emitting device and apparatus including the same

ActiveCN111384300BMolecular orbital energyBenzo(c)phenanthrene
An organic light-emitting device and a device including the same are disclosed. The organic light-emitting device includes: a first electrode; a second electrode; and an emission layer between the first electrode and the second electrode, wherein the emission layer includes a first compound, a second compound, and a third compound, the first compound includes at least one compound represented by one of formulas 1-1 to 1-4, the second compound includes at least one compound represented by one of formulas 2-1 to 2-4, and the third compound includes at least one of the following: a benzo[9,10]phenanthrene group, a dibenzofuran group, a dibenzothiophene group, a fluorene group, a bicarbazole group, or any combination thereof, wherein the band gap between the highest occupied molecular orbital (HOMO) energy level and the lowest unoccupied molecular orbital (LUMO) energy level of the third compound is 3.3 eV or greater. Formulas 1-1 to 1-4 and formulas 2-1 to 2-4 are described herein.
Owner:SAMSUNG ELECTRONICS CO LTD