The pyrolysis mechanisms of quinoline and isoquinoline were investigated using the density functional theory of quantum chemistry,including eight reaction paths and a common tautomeric intermediate 1-indene imine.It i...The pyrolysis mechanisms of quinoline and isoquinoline were investigated using the density functional theory of quantum chemistry,including eight reaction paths and a common tautomeric intermediate 1-indene imine.It is concluded that the conformational tautomerism of the intermediate decides the pyrolysis products(C6H6,HC≡C—C≡N,C6H5C≡N and HC≡CH)to be the same,and also decides the total disappearance rates of the reactants to be the same,for both original reactants quinoline and isoquinoline during the pyrolysis reaction.The results indicate that the intramolecular hydrogen migration is an important reaction step,which often appears in the paths of the pyrolysis mechanism.The activation energies of the rate determining steps are obtained.The calculated results are in good agreement with the experimental results.展开更多
WT8.BZ]The effects of postgrowth rapid thermal annealing have been studied on the optical properties of 3-nm-height InAs/GaAs quantum dots covered by 3-nm-thick In xGa 1-x As (x=0,0 1 and 0 2) overgrowth layer...WT8.BZ]The effects of postgrowth rapid thermal annealing have been studied on the optical properties of 3-nm-height InAs/GaAs quantum dots covered by 3-nm-thick In xGa 1-x As (x=0,0 1 and 0 2) overgrowth layer.At a higher annealing temperature (T≥750℃),the photoluminescence peak of InGaAs layer has been observed at the lower-energy side of InAs quantum-dot peak.In addition,a similar blueshift in photoluminescence (PL) emission energy is observed for all samples when the annealing temperature increases from 650 to 850℃.However,the trend of photoluminescence linewidth towards narrowing is totally different for InAs quantum dots with different In mole fraction in InGaAs overgrowth layer.The results suggest that the intermixing in the lateral direction plays an important role in obtaining a better understanding of the modification of optical properties induced by the rapid thermal annealing.展开更多
A model of quantum thermoacoustic refrigeration micro-cycle(QTARMC)is established in which heat leakage is considered.A single particle contained in a one-dimensional harmonic potential well is studied,and the system ...A model of quantum thermoacoustic refrigeration micro-cycle(QTARMC)is established in which heat leakage is considered.A single particle contained in a one-dimensional harmonic potential well is studied,and the system consists of countless replicas.Each particle is confined in its own potential well,whose occupation probabilities can be expressed by the thermal equilibrium Gibbs distributions.Based on the Schrodinger equation,the expressions of coefficient of performance(COP)and cooling rate for the refrigerator are obtained.Effects of heat leakage on the optimal performance are discussed.The optimal performance region of the refrigeration cycle is obtained by the using ofΩobjective function.The results obtained can enrich the thermoacoustic theory and expand the application of quantum thermodynamics.展开更多
A scheme for the realization of a universal quantum cloning machine is proposed in this paper. The present protocol does not need the vibrational mode to act as the memory and it is robust against small changes of exp...A scheme for the realization of a universal quantum cloning machine is proposed in this paper. The present protocol does not need the vibrational mode to act as the memory and it is robust against small changes of experimental parameters due to adiabatic passages. Furthermore, the scheme may be realized based on current technology.展开更多
We proposed an efficient scheme for constructing a quantum controlled phase-shift gate and generating thecluster states with rf superconducting quantum interference devices (SQUIDs)coupled to a microwave cavity throug...We proposed an efficient scheme for constructing a quantum controlled phase-shift gate and generating thecluster states with rf superconducting quantum interference devices (SQUIDs)coupled to a microwave cavity throughadiabatic evolution of dark eigenstates.During the operation,the spontaneous emission is suppressed since the rf SQUIDsare always in the three lowest flux states.Considering the influence from the cavity decay with achievable experimentalparameters,we numerically analyze the success probability and the fidelity for generating the two-SQUID maximallyentangled state and the controlled phase-shift gate by adiabatic passage.展开更多
Based on the Huybrechts' linear-combination operator,effects of thermal lattice vibration on the effective potential of weak-coupling bipolaron in semiconductor quantum dots are studied by using the LLP variationa...Based on the Huybrechts' linear-combination operator,effects of thermal lattice vibration on the effective potential of weak-coupling bipolaron in semiconductor quantum dots are studied by using the LLP variational method and quantum statistical theory.The results show that the absolute value of the induced potential of the bipolaron increases with increasing the electron-phonon coupling strength,but decreases with increasing the temperature and the distance of electrons,respectively;the absolute value of the effective potential increases with increasing the radius of the quantum dot,electron-phonon coupling strength and the distance of electrons,respectively,but decreases with increasing the temperature;the temperature and electron-phonon interaction have the important influence on the formation and state properties of the bipolaron:the bipolarons in the bound state are closer and more stable when the electron-phonon coupling strength is larger or the temperature is lower;the confinement potential and coulomb repulsive potential between electrons are unfavorable to the formation of bipolarons in the bound state.展开更多
Formulation of poorly water-soluble crystalline drugs in their amorphous counterpart is a common approach to enhance their biodisponibility. In this study, the amorphous forms of ketoprofen and flurbiprofen were obtai...Formulation of poorly water-soluble crystalline drugs in their amorphous counterpart is a common approach to enhance their biodisponibility. In this study, the amorphous forms of ketoprofen and flurbiprofen were obtained by supercooling of the melt in a DSC (differential scanning calorimetry) apparatus and then investigated, especially under the stability point of view. The average rate of molecular motions at any given temperature is probably the most important parameter to know for amorphous pharmaceutical materials, and it was used to explain and predict the stability of ketoprofen and flurbiprofen. A quantitative estimate of the product's behaviour upon storage is obtained with additional data, such as the heat capacity of crystalline and amorphous samples and the distribution of molecular relaxation times. Amorphous flurbiprofen demonstrated greater physical stability at any aging temperature tested, when compared to ketoprofen and a different dependence from aging temperature. Both amorphous drugs could he classified as "fragile" ones.展开更多
Quantum algorithms have been developed for efficiently solving linear algebra tasks.However,they generally require deep circuits and hence universal fault-tolerant quantum computers.In this work,we propose variational...Quantum algorithms have been developed for efficiently solving linear algebra tasks.However,they generally require deep circuits and hence universal fault-tolerant quantum computers.In this work,we propose variational algorithms for linear algebra tasks that are compatible with noisy intermediate-scale quantum devices.We show that the solutions of linear systems of equations and matrix–vector multiplications can be translated as the ground states of the constructed Hamiltonians.Based on the variational quantum algorithms,we introduce Hamiltonian morphing together with an adaptive ans?tz for efficiently finding the ground state,and show the solution verification.Our algorithms are especially suitable for linear algebra problems with sparse matrices,and have wide applications in machine learning and optimisation problems.The algorithm for matrix multiplications can be also used for Hamiltonian simulation and open system simulation.We evaluate the cost and effectiveness of our algorithm through numerical simulations for solving linear systems of equations.We implement the algorithm on the IBM quantum cloud device with a high solution fidelity of 99.95%.展开更多
In this context,we study three different strategies to improve the time complexity of the widely used adiabatic evolution algorithms when solving a particular class of quantum search problems where both the initial an...In this context,we study three different strategies to improve the time complexity of the widely used adiabatic evolution algorithms when solving a particular class of quantum search problems where both the initial and final Hamiltonians are one-dimensional projector Hamiltonians on the corresponding ground state.After some simple analysis,we find the time complexity improvement is always accompanied by the increase of some other "complexities" that should be considered.But this just gives the implication that more feasibilities can be achieved in adiabatic evolution based quantum algorithms over the circuit model,even though the equivalence between the two has been shown.In addition,we also give a rough comparison between these different models for the speedup of the problem.展开更多
Excess heat capacities at glass transition temperature in two types of glass-forming systems of [xNaNO3(1x)KNO3]60·[Ca(NO3)2]40(0x1) and Ca(NO3)2yH2O(4y13) are studied.In the former system,with the replacement of...Excess heat capacities at glass transition temperature in two types of glass-forming systems of [xNaNO3(1x)KNO3]60·[Ca(NO3)2]40(0x1) and Ca(NO3)2yH2O(4y13) are studied.In the former system,with the replacement of K + cation with Na + cation,the excess heat capacity is around 65.1 J mol-1·K-1,while the excess increases by 38.9 J mol-1·K-1 upon one molar H2O content in latter system.A quantitative description to the excess heat capacity is built up with the thermal effects of atomic and molecular translational motion in liquids.The results might offer a further understanding to the glass transition.展开更多
We develop a model for the effect of thermal annealing on forming In--N dusters in GalnNP according to thermodynamics. The average energy variation for forming an In--N bond in the model is estimated according to the ...We develop a model for the effect of thermal annealing on forming In--N dusters in GalnNP according to thermodynamics. The average energy variation for forming an In--N bond in the model is estimated according to the theoretical calculation. Using the model, the added number of In--N bonds per mol of InGaNP, the added number of nearest-neighbor In atoms per N atom and the average number of nearest-neighbor In atoms per N atom after annealing are calculated. The different function of In--N clusters in InGaNP and InGaN is also discussed, which is due to the different environments around the In--N clusters.展开更多
Using adiabatic invariance and the Bohr-Sommerfeld quantization rule we investigate the entropy spectroscopy of two black holes of heterotic string theory,the charged GMGHS and the rotating Sen solutions.It is shown t...Using adiabatic invariance and the Bohr-Sommerfeld quantization rule we investigate the entropy spectroscopy of two black holes of heterotic string theory,the charged GMGHS and the rotating Sen solutions.It is shown that the entropy spectrum is equally spaced in both cases,identically to the spectrum obtained before for Schwarzschild,Reissner-Nordstr?m and Kerr black holes.Since the adiabatic invariance method does not use quasinormal mode analysis,there is no need to impose the small charge or small angular momentum limits and there is no confusion on whether the real part or the imaginary part of the modes is responsible for the entropy spectrum.展开更多
The effects of major alloy element contents of Zn, Mg, Cu in Al-Zn-Mg-Cu alloys on the formation and evolution of intermetallic phases during casting, homogenization and solution treatment have been investigated throu...The effects of major alloy element contents of Zn, Mg, Cu in Al-Zn-Mg-Cu alloys on the formation and evolution of intermetallic phases during casting, homogenization and solution treatment have been investigated through using X-ray diffraction, scanning electron microscopy and differential scanning calorimetry. Experimental results showed that a relatively higher Zn content with lower Mg and Cu contents was beneficial to the formation of MgZn2 phase instead of the A12CuMg phase, which resulted in the unicity of the intermetallics in the A1 matrix, and that the MgZn2 phase was easier for diffusion and dissolution during homogenization and solution than the Al2CuMg phase. Additionally, the results of the first-principles calculations gave support for explaining the experimental phenomena. A larger absolute value of formation enthalpy and a smaller value of binding energy of the MgZn2 phase, as compared with the Al2CuMg phase, give it priority to precipitate during casting and make it easier to re-dissolve during homogenization and solution treatment. What's more, higher elastic constants with severe anisotropy of Young's modulus make undissolved blocks of AI^CuMg phase act as crack initiation, which degrade the perfor- mance of the materials.展开更多
How to control the dipole orientation of organic emitters is a challenge in the field of organic light-emitting diodes(OLEDs).Herein,a linear thermally activated delayed fluorescence(TADF)molecule,PhNAI-PMSBA,bearing ...How to control the dipole orientation of organic emitters is a challenge in the field of organic light-emitting diodes(OLEDs).Herein,a linear thermally activated delayed fluorescence(TADF)molecule,PhNAI-PMSBA,bearing a 1,8-naphthalimide-acridine framework was designed by a doublesite long-axis extension strategy to actively control the dipole orientation.The horizontal ratio of emitting dipole orientation of PhNAI-PMSBA reaches 95%,substantially higher than that of isotropic emitters(67%).This unique feature is associated with the intrinsically horizontal molecular orientation of PhNAI-PMSBA and the good agreement between its transition dipole moment direction and molecular long axis.The PhNAI-PMSBA-based OLED achieves an ultrahigh optical outcoupling efficiency of 43.2%and thus affords one of the highest red electroluminescence with an external quantum efficiency of 22.3%and the Commission International de l’Eclairage 1931 coordinates at around(0.60,0.40).展开更多
Thermally activated delayed fluorescence(TADF) sensitized fluorescent organic light-emitting diodes(TSF-OLEDs) have shown great potential for the realization of high efficiency with low efficiency rolloff and good col...Thermally activated delayed fluorescence(TADF) sensitized fluorescent organic light-emitting diodes(TSF-OLEDs) have shown great potential for the realization of high efficiency with low efficiency rolloff and good color purity. However, the superior examples of TSF-OLEDs are still limited up to now.Herein, a trade-off strategy is presented for designing efficient TADF materials and achieving highperformance TSF-OLEDs via the construction of a new type of triazolotriazine(TAZTRZ) acceptor. The enhanced electron-withdrawing ability of TAZTRZ acceptor, fused by triazine(TRZ) and triazole(TAZ)together, enables TADF luminogens with small singlet-triplet energy gap(ΔE_(ST)) values. Meanwhile, the increased planarity from the TRZ-phenyl linkage(6:6 system) to the TAZ-phenyl linkage(5:6 system)can compensate the decrease of oscillator strength(f) while lowing ΔE_(ST), thus achieving a trade-off between small ΔE_(ST) and high f. As a result, the related TSF-OLED achieved an extremely low turn-on voltage of 2.1 V, an outstanding maximum external quantum efficiency(EQEmax) of 23.7% with small efficiency roll-off(EQE1000 of 23.2%;EQE5000 of 20.6%) and an impressively high maximum power efficiency of 82.1 lm W^(-1), which represents the state-of-the-art performance for yellow TSF-OLEDs.展开更多
基金Supported by the National Basic Research Program of China (2005CB221203), the National Natural Science Foundation of China (20576087, 20776093) and the Foundation of Shanxi Province (2006011022, 2009021015).
文摘The pyrolysis mechanisms of quinoline and isoquinoline were investigated using the density functional theory of quantum chemistry,including eight reaction paths and a common tautomeric intermediate 1-indene imine.It is concluded that the conformational tautomerism of the intermediate decides the pyrolysis products(C6H6,HC≡C—C≡N,C6H5C≡N and HC≡CH)to be the same,and also decides the total disappearance rates of the reactants to be the same,for both original reactants quinoline and isoquinoline during the pyrolysis reaction.The results indicate that the intramolecular hydrogen migration is an important reaction step,which often appears in the paths of the pyrolysis mechanism.The activation energies of the rate determining steps are obtained.The calculated results are in good agreement with the experimental results.
文摘WT8.BZ]The effects of postgrowth rapid thermal annealing have been studied on the optical properties of 3-nm-height InAs/GaAs quantum dots covered by 3-nm-thick In xGa 1-x As (x=0,0 1 and 0 2) overgrowth layer.At a higher annealing temperature (T≥750℃),the photoluminescence peak of InGaAs layer has been observed at the lower-energy side of InAs quantum-dot peak.In addition,a similar blueshift in photoluminescence (PL) emission energy is observed for all samples when the annealing temperature increases from 650 to 850℃.However,the trend of photoluminescence linewidth towards narrowing is totally different for InAs quantum dots with different In mole fraction in InGaAs overgrowth layer.The results suggest that the intermixing in the lateral direction plays an important role in obtaining a better understanding of the modification of optical properties induced by the rapid thermal annealing.
基金Project(51176143)supported by the National Natural Science Foundation of ChinaProject(K201919)supported by the Scientific Research Foundation of Wuhan Institute of TechnologyChina。
文摘A model of quantum thermoacoustic refrigeration micro-cycle(QTARMC)is established in which heat leakage is considered.A single particle contained in a one-dimensional harmonic potential well is studied,and the system consists of countless replicas.Each particle is confined in its own potential well,whose occupation probabilities can be expressed by the thermal equilibrium Gibbs distributions.Based on the Schrodinger equation,the expressions of coefficient of performance(COP)and cooling rate for the refrigerator are obtained.Effects of heat leakage on the optimal performance are discussed.The optimal performance region of the refrigeration cycle is obtained by the using ofΩobjective function.The results obtained can enrich the thermoacoustic theory and expand the application of quantum thermodynamics.
基金The project supported by National Natural Science Foundation of China under Grant Nos.10574022 and 10575022the Natural Science Foundation of Fujian Province under Grant Nos.Z0512006 and A0210014
文摘A scheme for the realization of a universal quantum cloning machine is proposed in this paper. The present protocol does not need the vibrational mode to act as the memory and it is robust against small changes of experimental parameters due to adiabatic passages. Furthermore, the scheme may be realized based on current technology.
文摘We proposed an efficient scheme for constructing a quantum controlled phase-shift gate and generating thecluster states with rf superconducting quantum interference devices (SQUIDs)coupled to a microwave cavity throughadiabatic evolution of dark eigenstates.During the operation,the spontaneous emission is suppressed since the rf SQUIDsare always in the three lowest flux states.Considering the influence from the cavity decay with achievable experimentalparameters,we numerically analyze the success probability and the fidelity for generating the two-SQUID maximallyentangled state and the controlled phase-shift gate by adiabatic passage.
基金Supported by the Items of Institution of Higher Education Scientific Research of Inner Mongolia under Grant No. NJ101116
文摘Based on the Huybrechts' linear-combination operator,effects of thermal lattice vibration on the effective potential of weak-coupling bipolaron in semiconductor quantum dots are studied by using the LLP variational method and quantum statistical theory.The results show that the absolute value of the induced potential of the bipolaron increases with increasing the electron-phonon coupling strength,but decreases with increasing the temperature and the distance of electrons,respectively;the absolute value of the effective potential increases with increasing the radius of the quantum dot,electron-phonon coupling strength and the distance of electrons,respectively,but decreases with increasing the temperature;the temperature and electron-phonon interaction have the important influence on the formation and state properties of the bipolaron:the bipolarons in the bound state are closer and more stable when the electron-phonon coupling strength is larger or the temperature is lower;the confinement potential and coulomb repulsive potential between electrons are unfavorable to the formation of bipolarons in the bound state.
文摘Formulation of poorly water-soluble crystalline drugs in their amorphous counterpart is a common approach to enhance their biodisponibility. In this study, the amorphous forms of ketoprofen and flurbiprofen were obtained by supercooling of the melt in a DSC (differential scanning calorimetry) apparatus and then investigated, especially under the stability point of view. The average rate of molecular motions at any given temperature is probably the most important parameter to know for amorphous pharmaceutical materials, and it was used to explain and predict the stability of ketoprofen and flurbiprofen. A quantitative estimate of the product's behaviour upon storage is obtained with additional data, such as the heat capacity of crystalline and amorphous samples and the distribution of molecular relaxation times. Amorphous flurbiprofen demonstrated greater physical stability at any aging temperature tested, when compared to ketoprofen and a different dependence from aging temperature. Both amorphous drugs could he classified as "fragile" ones.
基金the Engineering and Physical Sciences Research Council National Quantum Technology Hub in Networked Quantum Information Technology(EP/M013243/1)Japan Student Services Organization(JASSO)Student Exchange Support Program(Graduate Scholarship for Degree Seeking Students)+1 种基金the National Natural Science Foundation of China(U1730449)the European Quantum Technology Flagship project AQTION。
文摘Quantum algorithms have been developed for efficiently solving linear algebra tasks.However,they generally require deep circuits and hence universal fault-tolerant quantum computers.In this work,we propose variational algorithms for linear algebra tasks that are compatible with noisy intermediate-scale quantum devices.We show that the solutions of linear systems of equations and matrix–vector multiplications can be translated as the ground states of the constructed Hamiltonians.Based on the variational quantum algorithms,we introduce Hamiltonian morphing together with an adaptive ans?tz for efficiently finding the ground state,and show the solution verification.Our algorithms are especially suitable for linear algebra problems with sparse matrices,and have wide applications in machine learning and optimisation problems.The algorithm for matrix multiplications can be also used for Hamiltonian simulation and open system simulation.We evaluate the cost and effectiveness of our algorithm through numerical simulations for solving linear systems of equations.We implement the algorithm on the IBM quantum cloud device with a high solution fidelity of 99.95%.
基金supported by the National Natural Science Foundation of China (Grant No. 61173050)
文摘In this context,we study three different strategies to improve the time complexity of the widely used adiabatic evolution algorithms when solving a particular class of quantum search problems where both the initial and final Hamiltonians are one-dimensional projector Hamiltonians on the corresponding ground state.After some simple analysis,we find the time complexity improvement is always accompanied by the increase of some other "complexities" that should be considered.But this just gives the implication that more feasibilities can be achieved in adiabatic evolution based quantum algorithms over the circuit model,even though the equivalence between the two has been shown.In addition,we also give a rough comparison between these different models for the speedup of the problem.
基金supported by the National Natural Science Foundation of China (Grant Nos. 51071170 and 11274353)the National Basic Research Program of China (Grant Nos. 2007CB613904 and 2010CB-731603)
文摘Excess heat capacities at glass transition temperature in two types of glass-forming systems of [xNaNO3(1x)KNO3]60·[Ca(NO3)2]40(0x1) and Ca(NO3)2yH2O(4y13) are studied.In the former system,with the replacement of K + cation with Na + cation,the excess heat capacity is around 65.1 J mol-1·K-1,while the excess increases by 38.9 J mol-1·K-1 upon one molar H2O content in latter system.A quantitative description to the excess heat capacity is built up with the thermal effects of atomic and molecular translational motion in liquids.The results might offer a further understanding to the glass transition.
基金supported by the Special Funds for the Major State Basic Research Project (Grant No.2011CB301900)the National Natural Science Foundation of China (Grant Nos.60990311,60820106003,60906025,60936004 and 61177078)+1 种基金the Natural Science Foundation of Jiangsu Province (Grant Nos.BK2008019,BK2010385,BK2009255 and BK2010178)the Research Funds from NJU-Yangzhou Institute of Opto-electronics
文摘We develop a model for the effect of thermal annealing on forming In--N dusters in GalnNP according to thermodynamics. The average energy variation for forming an In--N bond in the model is estimated according to the theoretical calculation. Using the model, the added number of In--N bonds per mol of InGaNP, the added number of nearest-neighbor In atoms per N atom and the average number of nearest-neighbor In atoms per N atom after annealing are calculated. The different function of In--N clusters in InGaNP and InGaN is also discussed, which is due to the different environments around the In--N clusters.
基金Supported by the Universidad Nacional de Colombia. Hermes Project Code 13038
文摘Using adiabatic invariance and the Bohr-Sommerfeld quantization rule we investigate the entropy spectroscopy of two black holes of heterotic string theory,the charged GMGHS and the rotating Sen solutions.It is shown that the entropy spectrum is equally spaced in both cases,identically to the spectrum obtained before for Schwarzschild,Reissner-Nordstr?m and Kerr black holes.Since the adiabatic invariance method does not use quasinormal mode analysis,there is no need to impose the small charge or small angular momentum limits and there is no confusion on whether the real part or the imaginary part of the modes is responsible for the entropy spectrum.
基金financially supported by the National Natural Science Foundation of China (Grant No. 51171156)
文摘The effects of major alloy element contents of Zn, Mg, Cu in Al-Zn-Mg-Cu alloys on the formation and evolution of intermetallic phases during casting, homogenization and solution treatment have been investigated through using X-ray diffraction, scanning electron microscopy and differential scanning calorimetry. Experimental results showed that a relatively higher Zn content with lower Mg and Cu contents was beneficial to the formation of MgZn2 phase instead of the A12CuMg phase, which resulted in the unicity of the intermetallics in the A1 matrix, and that the MgZn2 phase was easier for diffusion and dissolution during homogenization and solution than the Al2CuMg phase. Additionally, the results of the first-principles calculations gave support for explaining the experimental phenomena. A larger absolute value of formation enthalpy and a smaller value of binding energy of the MgZn2 phase, as compared with the Al2CuMg phase, give it priority to precipitate during casting and make it easier to re-dissolve during homogenization and solution treatment. What's more, higher elastic constants with severe anisotropy of Young's modulus make undissolved blocks of AI^CuMg phase act as crack initiation, which degrade the perfor- mance of the materials.
基金the National Natural Science Foundation of China(51873158,51573141,91833304 and 91433201)the National Key R&D Program of China(2016YFB0401002)+4 种基金Shenzhen Science and Technolgy Program(KQTD20170330110107046 and JCYJ20190808151209557)the Key Technological Innovation Program of Hubei Province(2018AAA013)the Natural Science Foundation for Distinguished Young Scholars of Hubei Province(2017CFA033)the support from the Ministry of Science and Technology of Taiwan(MOST 107-2221-E-002-160-MY3 and 108-2221-E-002-148-MY3)the post-doctoral fellowship from the Ministry of Education(MOE)of Taiwan。
文摘How to control the dipole orientation of organic emitters is a challenge in the field of organic light-emitting diodes(OLEDs).Herein,a linear thermally activated delayed fluorescence(TADF)molecule,PhNAI-PMSBA,bearing a 1,8-naphthalimide-acridine framework was designed by a doublesite long-axis extension strategy to actively control the dipole orientation.The horizontal ratio of emitting dipole orientation of PhNAI-PMSBA reaches 95%,substantially higher than that of isotropic emitters(67%).This unique feature is associated with the intrinsically horizontal molecular orientation of PhNAI-PMSBA and the good agreement between its transition dipole moment direction and molecular long axis.The PhNAI-PMSBA-based OLED achieves an ultrahigh optical outcoupling efficiency of 43.2%and thus affords one of the highest red electroluminescence with an external quantum efficiency of 22.3%and the Commission International de l’Eclairage 1931 coordinates at around(0.60,0.40).
基金This work was supported by the National Natural Science Foundation of China(21432005)the Fundamental Research Funds for the Central Universities and the Comprehensive Training Platform Specialized Laboratory,College of Chemistry,Sichuan University。
文摘Thermally activated delayed fluorescence(TADF) sensitized fluorescent organic light-emitting diodes(TSF-OLEDs) have shown great potential for the realization of high efficiency with low efficiency rolloff and good color purity. However, the superior examples of TSF-OLEDs are still limited up to now.Herein, a trade-off strategy is presented for designing efficient TADF materials and achieving highperformance TSF-OLEDs via the construction of a new type of triazolotriazine(TAZTRZ) acceptor. The enhanced electron-withdrawing ability of TAZTRZ acceptor, fused by triazine(TRZ) and triazole(TAZ)together, enables TADF luminogens with small singlet-triplet energy gap(ΔE_(ST)) values. Meanwhile, the increased planarity from the TRZ-phenyl linkage(6:6 system) to the TAZ-phenyl linkage(5:6 system)can compensate the decrease of oscillator strength(f) while lowing ΔE_(ST), thus achieving a trade-off between small ΔE_(ST) and high f. As a result, the related TSF-OLED achieved an extremely low turn-on voltage of 2.1 V, an outstanding maximum external quantum efficiency(EQEmax) of 23.7% with small efficiency roll-off(EQE1000 of 23.2%;EQE5000 of 20.6%) and an impressively high maximum power efficiency of 82.1 lm W^(-1), which represents the state-of-the-art performance for yellow TSF-OLEDs.