A novel bonding method using silicate gel as bonding medium is developed.High reflective SiO 2/Si mirrors deposited on silicon substrates by e-beam deposition are bonded to the active layers at a low temperature of ...A novel bonding method using silicate gel as bonding medium is developed.High reflective SiO 2/Si mirrors deposited on silicon substrates by e-beam deposition are bonded to the active layers at a low temperature of 350℃ without any special treatment on bonding surfaces.The reflectivities of the mirrors can be as high as 99 9%.A Si-based narrow band response InGaAs photodetector is successfully fabricated,with a quantum efficiency of 22 6% at the peak wavelength of 1 54μm,and a full width at half maximum of about 27nm.This method has a great potential for industry processes.展开更多
This paper presents a scheme for quantum secure direct communication with quantum encryption. The two authorized users use repeatedly a sequence of the pure entangled pairs (quantum key) shared for encrypting and de...This paper presents a scheme for quantum secure direct communication with quantum encryption. The two authorized users use repeatedly a sequence of the pure entangled pairs (quantum key) shared for encrypting and decrypting the secret message carried by the travelling photons directly. For checking eavesdropping, the two parties perform the single-photon measurements on some decoy particles before each round. This scheme has the advantage that the pure entangled quantum signal source is feasible at present and any eavesdropper cannot steal the message.展开更多
A new theoretical quantum key distribution scheme based on entanglement swapping is proposed, where four-qubit symmetric W state functions as quantum channel. It is shown that two legitimate users can secretly share a...A new theoretical quantum key distribution scheme based on entanglement swapping is proposed, where four-qubit symmetric W state functions as quantum channel. It is shown that two legitimate users can secretly share a series of key bits by using Bell-state measurements and classical communication.展开更多
Exploiting the encoding process of the stabilizer quantum code [[n, k, d]], a deterministic quantum communication scheme, in which n - 1 photons are distributed forward and backward in two-way channel, is proposed to ...Exploiting the encoding process of the stabilizer quantum code [[n, k, d]], a deterministic quantum communication scheme, in which n - 1 photons are distributed forward and backward in two-way channel, is proposed to transmit the secret messages with unconditional security. The present scheme can be implemented to distribute the secret quantum (or classical) messages with great capacity in imperfect quantum channel since the utilized code encodes k-qubit messages for each scheme run.展开更多
There is a growing interest in the study of structures and properties of biomolecules in gas phase. Applications of force fields are highly desirable for the computational efficiency of the gas phase study. To help th...There is a growing interest in the study of structures and properties of biomolecules in gas phase. Applications of force fields are highly desirable for the computational efficiency of the gas phase study. To help the selection of force fields, the performances of five repre- sentative force fields for gaseous neutral, protonated, deprotonated and capped amino acids are systematically examined and compared. The tested properties include relative conforma- tional energies, energy differences between cis and trans structures, the number and strength of predicted hydrogen bonds, and the quality of the optimized structures. The results of BHandHLYP/6-311++G(d,p) are used as the references. GROMOS53A6 and ENCADS are found to perform poorly for gaseous biomoleeules, while the performance of AMBER99SB, CHARMM27 and OPLSAA/L are comparable when applicable. Considering the general availability of the force field parameters, CHARMM27 is the most recommended, followed by OPLSAA/L, for the study of biomolecules in gas phase展开更多
A new quantum communication scheme based on entanglement swapping is presented. Simplified calculation symbols are adopted to realize the process. Quantum key distribution and quantum secure direct communication can b...A new quantum communication scheme based on entanglement swapping is presented. Simplified calculation symbols are adopted to realize the process. Quantum key distribution and quantum secure direct communication can be simultaneously accomplished in the scheme. Two legitimate communicators can secretly share four certain key bits and four random key bits via three EPR pairs (quantum channels).展开更多
The C--C bond dissociation energy (BDE) is a very important data in research of hydrocarbon cracking reactions, because it reflects the difficulty level of chemical reactions. But it is very difficult to obtain the ...The C--C bond dissociation energy (BDE) is a very important data in research of hydrocarbon cracking reactions, because it reflects the difficulty level of chemical reactions. But it is very difficult to obtain the C--C bond dissociation energy (BDE) by experiments, so using quantum chemistry calculation such as density functional theory (DFT) to study the C--C bond dissociation energy is a very useful means. The impact of acceptor substituents and donor substituents on the C--C bond length distribution was studied.展开更多
The interactions of complexes of XeOF_(2) and XeO_(3) with a series of different hybridization N-containing donors are studied by means of DFT and MP_(2) calculations.The aerogen bonding interaction energies range fro...The interactions of complexes of XeOF_(2) and XeO_(3) with a series of different hybridization N-containing donors are studied by means of DFT and MP_(2) calculations.The aerogen bonding interaction energies range from 6.5 kcal/mol to19.9 kcal/mol between XeO_(3) or XeOF_(2) and typical N-containing donors.The sequence of interaction for N-containing hy-bridization is sp^(3)>sp^(2)>sp,and XeO_(3)is higher than XeOF_(2).For some donors of sp^(2)and sp^(3) hybridization,the steric effect plays a minor role in the interaction with the evidence of reduced density gradient plots.The dominant stable part is the electrostatic interaction.In complex of XeO_(3),the weight of polarization is larger than dispersion,while the situation is opposite for XeOF_(2)complexes.Except for the sum of the maximum value of molecular electrostatic potential on Xe atom and minimum value of molecular electrostatic potential on N atom,the other five interaction parameters including the potential energy density at bond critical point,the equilibrium distances,interaction energies with the basis set superposition error correction,localized molecular orbital energy decomposition analysis interaction energies,and the electron charge density,show great linear correlation coefficients with each other.展开更多
Quantum key distribution (QKD) system must be robust enough in practical communication. Besides birefringence of fiber, system performance is notably affected by phase drift. The Faraday-Michelson QKD system can auto-...Quantum key distribution (QKD) system must be robust enough in practical communication. Besides birefringence of fiber, system performance is notably affected by phase drift. The Faraday-Michelson QKD system can auto-compensate the birefringence of fiber, but phase shift is still a serious problem in its practical operation. In this paper, the major reason of phase drift and its effect on Faraday- Michel- son QKD system is analyzed and an effective active phase compensation scheme is proposed. By this means, we demonstrate a quantum key distribution system which can stably run over 37-km fiber in practical working condition with the long-time averaged quantum bit error rate of 1.59% and the stan- dard derivation of 0.46%. This result shows that the active phase compensation scheme is suitable to be used in practical QKD systems based on double asymmetric interferometers without additional de- vices and thermal controller.展开更多
A novel acceptor material,9-(4′-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1,1′-biphenyl]-3-yl)-9H-carbazole(o-DTPPC)was developed to form interface exciplex with commonly used donors,to maximize the performances of red pho...A novel acceptor material,9-(4′-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1,1′-biphenyl]-3-yl)-9H-carbazole(o-DTPPC)was developed to form interface exciplex with commonly used donors,to maximize the performances of red phosphorescent organic light emitting diodes(PHOLEDs).It is found that the exciplex involving 4,4′-(cyclohexane-1,1-diyl)bis(N,N-di-p-tolylaniline)(TAPC)exhibits the most significant thermally activated delayed fluorescence(TADF)property,derived from the high triplet energy level as well as strong hole-transporting ability of TAPC.Intriguingly,it is the same donor-acceptor combination which achieved the highest device efficiency when adopted as the host for red PHOLEDs.Maximum efficiencies as high as31.36 cd A^(-1),17.95 lm W^(-1),and 21.01%for the current efficiency,power efficiency and external quantum efficiency,respectively with low efficiency roll-off were realized.The improved performance can be attributed to the efficient TADF properties of the interface exciplex-forming host constituting TAPC,benefiting the F?rster energy transfer.The article first underlines the importance of the constituting molecules in the interface exciplex-forming hosts,shedding new insight about the choice of interface exciplex as the host for PHOLEDs,which may lead to even higher performances,paving their ways towards practical applications.展开更多
In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended from gas phase to solvated environment. It is the first an...In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended from gas phase to solvated environment. It is the first analysis scheme that performs analysis for intramolecular interaction in solution. By fragmentation scheme, a molecule is divided into intramolecular interacting fragments and environmental fragments via single bond homolysis breaking. The solvent effect is taken into account by implicit solvation model. Intramolecular interaction free energy is estimated as the separated treatment of inter-fragment interactions in dielectric environment. The analysis results highlight the importance of solvent effects to intramolecular non-covalent interaction.展开更多
文摘A novel bonding method using silicate gel as bonding medium is developed.High reflective SiO 2/Si mirrors deposited on silicon substrates by e-beam deposition are bonded to the active layers at a low temperature of 350℃ without any special treatment on bonding surfaces.The reflectivities of the mirrors can be as high as 99 9%.A Si-based narrow band response InGaAs photodetector is successfully fabricated,with a quantum efficiency of 22 6% at the peak wavelength of 1 54μm,and a full width at half maximum of about 27nm.This method has a great potential for industry processes.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10604008 and 10435020) and the Beijing Education Committee (Grant No XK100270454).
文摘This paper presents a scheme for quantum secure direct communication with quantum encryption. The two authorized users use repeatedly a sequence of the pure entangled pairs (quantum key) shared for encrypting and decrypting the secret message carried by the travelling photons directly. For checking eavesdropping, the two parties perform the single-photon measurements on some decoy particles before each round. This scheme has the advantage that the pure entangled quantum signal source is feasible at present and any eavesdropper cannot steal the message.
基金The project supported by National Natural Science Foundation of China under Grant No. 60472017
文摘A new theoretical quantum key distribution scheme based on entanglement swapping is proposed, where four-qubit symmetric W state functions as quantum channel. It is shown that two legitimate users can secretly share a series of key bits by using Bell-state measurements and classical communication.
基金The project supported by National Natural Science Foundation of China under Grant Nos.60472018 and 60573127partly supported by the Postdoctoral Science Foundation of Central South University
文摘Exploiting the encoding process of the stabilizer quantum code [[n, k, d]], a deterministic quantum communication scheme, in which n - 1 photons are distributed forward and backward in two-way channel, is proposed to transmit the secret messages with unconditional security. The present scheme can be implemented to distribute the secret quantum (or classical) messages with great capacity in imperfect quantum channel since the utilized code encodes k-qubit messages for each scheme run.
文摘There is a growing interest in the study of structures and properties of biomolecules in gas phase. Applications of force fields are highly desirable for the computational efficiency of the gas phase study. To help the selection of force fields, the performances of five repre- sentative force fields for gaseous neutral, protonated, deprotonated and capped amino acids are systematically examined and compared. The tested properties include relative conforma- tional energies, energy differences between cis and trans structures, the number and strength of predicted hydrogen bonds, and the quality of the optimized structures. The results of BHandHLYP/6-311++G(d,p) are used as the references. GROMOS53A6 and ENCADS are found to perform poorly for gaseous biomoleeules, while the performance of AMBER99SB, CHARMM27 and OPLSAA/L are comparable when applicable. Considering the general availability of the force field parameters, CHARMM27 is the most recommended, followed by OPLSAA/L, for the study of biomolecules in gas phase
基金The project supported by National Natural Science Foundation of China under Grant No. 60472017
文摘A new quantum communication scheme based on entanglement swapping is presented. Simplified calculation symbols are adopted to realize the process. Quantum key distribution and quantum secure direct communication can be simultaneously accomplished in the scheme. Two legitimate communicators can secretly share four certain key bits and four random key bits via three EPR pairs (quantum channels).
文摘The C--C bond dissociation energy (BDE) is a very important data in research of hydrocarbon cracking reactions, because it reflects the difficulty level of chemical reactions. But it is very difficult to obtain the C--C bond dissociation energy (BDE) by experiments, so using quantum chemistry calculation such as density functional theory (DFT) to study the C--C bond dissociation energy is a very useful means. The impact of acceptor substituents and donor substituents on the C--C bond length distribution was studied.
基金financially supported by the China Postdoctoral Science Foundation(No.2020M682154)。
文摘The interactions of complexes of XeOF_(2) and XeO_(3) with a series of different hybridization N-containing donors are studied by means of DFT and MP_(2) calculations.The aerogen bonding interaction energies range from 6.5 kcal/mol to19.9 kcal/mol between XeO_(3) or XeOF_(2) and typical N-containing donors.The sequence of interaction for N-containing hy-bridization is sp^(3)>sp^(2)>sp,and XeO_(3)is higher than XeOF_(2).For some donors of sp^(2)and sp^(3) hybridization,the steric effect plays a minor role in the interaction with the evidence of reduced density gradient plots.The dominant stable part is the electrostatic interaction.In complex of XeO_(3),the weight of polarization is larger than dispersion,while the situation is opposite for XeOF_(2)complexes.Except for the sum of the maximum value of molecular electrostatic potential on Xe atom and minimum value of molecular electrostatic potential on N atom,the other five interaction parameters including the potential energy density at bond critical point,the equilibrium distances,interaction energies with the basis set superposition error correction,localized molecular orbital energy decomposition analysis interaction energies,and the electron charge density,show great linear correlation coefficients with each other.
基金Supported by the National Fundamental Research Program of China (Grant No. 2006CB921900)National Natural Science Foundation of China (Grant Nos. 60537020 and 60621064)Knowledge Innovation Project of Chinese Academy of Sciences
文摘Quantum key distribution (QKD) system must be robust enough in practical communication. Besides birefringence of fiber, system performance is notably affected by phase drift. The Faraday-Michelson QKD system can auto-compensate the birefringence of fiber, but phase shift is still a serious problem in its practical operation. In this paper, the major reason of phase drift and its effect on Faraday- Michel- son QKD system is analyzed and an effective active phase compensation scheme is proposed. By this means, we demonstrate a quantum key distribution system which can stably run over 37-km fiber in practical working condition with the long-time averaged quantum bit error rate of 1.59% and the stan- dard derivation of 0.46%. This result shows that the active phase compensation scheme is suitable to be used in practical QKD systems based on double asymmetric interferometers without additional de- vices and thermal controller.
基金supported by the National Key Basic Research and Development Program of China (2016YFB041003, 2016YFB0400702)the National Basic Research Program of China (2015CB655002)the National Natural Science Foundation of China (51525304, U1601651)
文摘A novel acceptor material,9-(4′-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1,1′-biphenyl]-3-yl)-9H-carbazole(o-DTPPC)was developed to form interface exciplex with commonly used donors,to maximize the performances of red phosphorescent organic light emitting diodes(PHOLEDs).It is found that the exciplex involving 4,4′-(cyclohexane-1,1-diyl)bis(N,N-di-p-tolylaniline)(TAPC)exhibits the most significant thermally activated delayed fluorescence(TADF)property,derived from the high triplet energy level as well as strong hole-transporting ability of TAPC.Intriguingly,it is the same donor-acceptor combination which achieved the highest device efficiency when adopted as the host for red PHOLEDs.Maximum efficiencies as high as31.36 cd A^(-1),17.95 lm W^(-1),and 21.01%for the current efficiency,power efficiency and external quantum efficiency,respectively with low efficiency roll-off were realized.The improved performance can be attributed to the efficient TADF properties of the interface exciplex-forming host constituting TAPC,benefiting the F?rster energy transfer.The article first underlines the importance of the constituting molecules in the interface exciplex-forming hosts,shedding new insight about the choice of interface exciplex as the host for PHOLEDs,which may lead to even higher performances,paving their ways towards practical applications.
基金supported by the National Natural Science Foundation of China (21373165, 21120102035, 21273176, 21290190)the Fundamental Research Funds for the Central Universities, China (20720150037)
文摘In this work, the intra-EDA method, which is a recently developed energy decomposition analysis scheme for intramolecular non-covalent interaction is extended from gas phase to solvated environment. It is the first analysis scheme that performs analysis for intramolecular interaction in solution. By fragmentation scheme, a molecule is divided into intramolecular interacting fragments and environmental fragments via single bond homolysis breaking. The solvent effect is taken into account by implicit solvation model. Intramolecular interaction free energy is estimated as the separated treatment of inter-fragment interactions in dielectric environment. The analysis results highlight the importance of solvent effects to intramolecular non-covalent interaction.