Seven electron-deficient A_2 B type H_3-triarylcorroles have been synthesized and characterized. The solvent dependence of the electronic absorption and magnetic circular dichroism（MCD） spectra and a series of TD-DF...Seven electron-deficient A_2 B type H_3-triarylcorroles have been synthesized and characterized. The solvent dependence of the electronic absorption and magnetic circular dichroism（MCD） spectra and a series of TD-DFT calculations have been used to analyze trends in the electronic structures. Significant differences are observed in the optical spectra when solvents of differing polarity are used,which can be assigned to the effect of NH-tautomerism.展开更多
This paper reports on the n-type ZnS used as electron transport layer for the organic light-emitting diodes （OLEDs）. The naphthyl-substituted benzidine derivative （NPB） and tris （8-hydroxyquinoline） aluminium （...This paper reports on the n-type ZnS used as electron transport layer for the organic light-emitting diodes （OLEDs）. The naphthyl-substituted benzidine derivative （NPB） and tris （8-hydroxyquinoline） aluminium （Alq3） are used as the hole transport layer and the emitting layer respectively. The insertion of the n-type ZnS layer enhances the electron injection in the OLEDs. The study was carried out on OLEDs of structures： indium-tin-oxide （ITO）/NPB/Alq3/ZnS/LiF/AL, ITO/NPB/Alq3/LiF/AL and ITO/NPB/Alq3/AL. The luminance and efficiency of the device containing this electron transport layer are increased significantly over those obtained from conventional devices due to better carrier balance.展开更多
The advantages of nitride-based dual-wavelength light-emitting diodes （LEDs） with an InA1N electron blocking layer （EBL） are studied. The emission spectra, carrier concentration in the quantum wells （QWs）, energ...The advantages of nitride-based dual-wavelength light-emitting diodes （LEDs） with an InA1N electron blocking layer （EBL） are studied. The emission spectra, carrier concentration in the quantum wells （QWs）, energy band and internal quantum efficiency （IQE） are investigated. The simulation results indicate that an LED with an InA1N EBL performs better over a conventional LED with an A1GaN EBL and an LED with p-type-doped QW barriers. All of the advantages are due to the enhancement of carrier confinement and the lower electron leakage current. The simulation results also show that the efficiency droop is markedly improved and the luminous intensity is greatly enhanced when an InAlN EBL is used.展开更多
The electronic structures and optical properties of B3 ZnO series of Zn4X4-yMy（X ：O, S, Se or Te; M = N, Sb, C1 or I; y = 0 or 1） are studied by first-principles calculations using a pseudopotential plane-wave meth...The electronic structures and optical properties of B3 ZnO series of Zn4X4-yMy（X ：O, S, Se or Te; M = N, Sb, C1 or I; y = 0 or 1） are studied by first-principles calculations using a pseudopotential plane-wave method. The results show that Zn d-X p orbital interactions play an important role in the p-type doping tendency in zinc-based Ⅱ-Ⅵ semiconductors. In ZnX, with increasing atomic number of X, Zn d-X p orbital interactions decrease and Zn s-X p orbital interactions increase. Additionally, substituting group-V elements for X will reduce the Zn d-X p orbital interactions while substituting group-VII elements for X will increase the Zn d-X p orbital interactions. The results also show that group-V-doped ZnX and group-Ⅷ-doped ZnX exhibit different optical behaviours due to their different orbital interaction effects.展开更多
We have studied the cyclotron-resonance absorption and photoluminescence properties of the modulation n-doped ZnSe/BeTe/ZnSe type-Ⅱ quantum wells. It is shown that only the doped sample shows electron cyclotron-reson...We have studied the cyclotron-resonance absorption and photoluminescence properties of the modulation n-doped ZnSe/BeTe/ZnSe type-Ⅱ quantum wells. It is shown that only the doped sample shows electron cyclotron-resonance absorption. Also, the undoped sample shows two distinctive peaks in the spatially indirect photoluminescence spectra, and the doped one shows only one peak. The results reveal that the high concentration electrons accumulated in ZnSe quantum well layers from n-doped layers can tunnel through BeTe barrier from one well layer to the other. The electron concentration difference between these two well layers originating from the tunneling results in a new additional electric field, and can cancel out a built-in electric field as observed in the undoped structures.展开更多
Aluminium doped tin oxide films have been deposited onto glass substrates by using a simplified and low cost spray pyrolysis technique. The AI doping level varies between 0 and 30 at.% in the step of 5 at.%. The resis...Aluminium doped tin oxide films have been deposited onto glass substrates by using a simplified and low cost spray pyrolysis technique. The AI doping level varies between 0 and 30 at.% in the step of 5 at.%. The resistivity （p） is the minimum （0.38 Ω cm） for 20 at.% of AI doping. The possible mechanism behind the phenomenal zig-zag variation in resistivity with respect to AI doping is discussed in detail. The nature of conductivity changes from n-type to p-type when the AI doping level is 10 at.%. The results show that 20 at.% is the optimum doping level for good quality p-type SnO2：AI films suitable for transparent electronic devices.展开更多
Since perovskite solar cells appeared in 2009, its simple preparation process, high photoelectric conversion efficiency and the characteristic of low cost in preparation process let it become the hot spot of both at-h...Since perovskite solar cells appeared in 2009, its simple preparation process, high photoelectric conversion efficiency and the characteristic of low cost in preparation process let it become the hot spot of both at-home and abroad. Owing to the constant efforts of scientists, the conversion efficiency of perovskite solar cells is more than 20% now. Perovskite solar cells are mainly composed of conductive glass, electron transport layer and hole transport layer, perovskite layer and electrode parts. This paper will briefly introduce the working principle and working pro- cess about the electron transport layer of perovskite solar cells. The paper focuses on aspects such as material types （e.g., inorganic electron transport materials, organic small molecule electron transport materials, surface modified electron transport materials and doped electron transport materials）, preparation technology of electron transport layer, the effects of electron transport layer on the photo- voltaic performance of the devices, and the electron transport layer in the future research.展开更多
Nanoaggregation of the thermally stable bis（2-hydroxy-9（10）,16（17）,23（24）-tri-tert-butylphthalocyanine） of J-type was observed by the field emission scanning electron microscopy（FE-SEM）. Ordered phases, repr...Nanoaggregation of the thermally stable bis（2-hydroxy-9（10）,16（17）,23（24）-tri-tert-butylphthalocyanine） of J-type was observed by the field emission scanning electron microscopy（FE-SEM）. Ordered phases, represented as threads composed of about 200 nm diameter circles were discovered, unlike the parent dimeric magnesium complex, in which similar circles combine together to give visually distinguishable zones with widths of about 600 nm and the same distance between them.展开更多
This paper studies the two-electron total energy and the energy of the electron-electron interaction by using a variational method of Pekar type on the condition of electric-LO-phonon strong coupling in a parabolic qu...This paper studies the two-electron total energy and the energy of the electron-electron interaction by using a variational method of Pekar type on the condition of electric-LO-phonon strong coupling in a parabolic quantum dot. It considers the following three cases： 1） two electrons are in the ground state; 2） one electron is in the ground state, the other is in the first-excited state; 3） two electrons are in the first-excited state. The relations of the two-electron total energy and the energy of the electron-electron interaction on the Coulomb binding parameter, the electron-LO-phonon coupling constant and the confinement length of the quantum dot are derived in the three cases.展开更多
The electronic structures of BaMgF4 crystals containing an F colour centre are studied within the framework of the fully relativistic self-consistent Direc-Slater theory, using a numerically discrete variational （DV...The electronic structures of BaMgF4 crystals containing an F colour centre are studied within the framework of the fully relativistic self-consistent Direc-Slater theory, using a numerically discrete variational （DV-Xa） method. It is concluded from the calculated results that the energy levels of the F colour centre are located in the forbidden band. The optical transition energy from the ground state to the excited state for the F colour centre is about 5.12 eV, which corresponds to the 242-nm absorption band. These calculated results can explain the origin of the absorption bands.展开更多
Using formulae for one- and two-electron integrals of Coulomb interaction potential fk （r） = r^-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψ^α-expo...Using formulae for one- and two-electron integrals of Coulomb interaction potential fk （r） = r^-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψ^α-exponential-type orbitals （α = 1, 0,-1,-2,…）, we perform the calculations for isoelectronic series of the He atom containing nuclear charges from 2 to 10, where k = 1 - μ （-1 〈 μ 〈 0）. For this purpose we have used the double-zeta approximation, the configuration interaction and coupled-cluster methods employing the integer-n Slater-type orbitals as basis sets. It is demonstrated that the results of calculations obtained are better than the numerical Hartree-Fock values.展开更多
According to the Fowler theory and numerous experiments the quantum efficiency for photoemission from conductors increases with temperature. Here we show that an opposite temperature dependence is also possible, when ...According to the Fowler theory and numerous experiments the quantum efficiency for photoemission from conductors increases with temperature. Here we show that an opposite temperature dependence is also possible, when the photoemission is from quasi-metallic surface accumulation layers of n-type semiconductors. This is due to the temperature dependence of the Fermi level energy in semiconductors. The Fermi level energy increases with decreasing temperature;this leads to a decrease of the semiconductor work function and consequently an increase of the quantum efficiency photoemission at constant value of absorbed light quanta of energy. We have calculated this effect for electron accumulation layer in n-GaN, induced by adsorption of positively charged cesium or barium ions. It is found that at low temperatures near liquid nitrogen, the quantum efficiency for photoemission increases to near 55%, which is comparable to the largest values, reported for any known photo-ca-thodes. This phenomenon may prove useful for efficient photo-cathodes operating at low temperatures.展开更多
The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most sta...The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.展开更多
基金financially supported by the National Natural Science Foundation of China(No.21171076)Natural Science Foundation of Jiangsu Province(No.BK20160499)to XL and WZ and an NRF of South Africa CSUR grant(uid:93627)to JM
文摘Seven electron-deficient A_2 B type H_3-triarylcorroles have been synthesized and characterized. The solvent dependence of the electronic absorption and magnetic circular dichroism（MCD） spectra and a series of TD-DFT calculations have been used to analyze trends in the electronic structures. Significant differences are observed in the optical spectra when solvents of differing polarity are used,which can be assigned to the effect of NH-tautomerism.
基金Project supported by the National Natural Science Foundation of China （Grant No 60476005）, the Scientific Research Foundation for Returned 0verseas Chinese Scholars, the State Education Ministry, the State Key Program for Basic Research of the Ministry of Science and Technology of China （Grant No 2003CB314707）, and the Key Project of National Natural Science Foundation of China （Grant No 50532090）.
文摘This paper reports on the n-type ZnS used as electron transport layer for the organic light-emitting diodes （OLEDs）. The naphthyl-substituted benzidine derivative （NPB） and tris （8-hydroxyquinoline） aluminium （Alq3） are used as the hole transport layer and the emitting layer respectively. The insertion of the n-type ZnS layer enhances the electron injection in the OLEDs. The study was carried out on OLEDs of structures： indium-tin-oxide （ITO）/NPB/Alq3/ZnS/LiF/AL, ITO/NPB/Alq3/LiF/AL and ITO/NPB/Alq3/AL. The luminance and efficiency of the device containing this electron transport layer are increased significantly over those obtained from conventional devices due to better carrier balance.
基金supported by the Project of Combination of Production and Research Guided by Ministry in 2009,China (Grant No. 2009B090300338)the Doctorate Foundation of the State Education Ministry of China (Grant No. 350163)the Crucial Field and Key Breakthrough Project of Guangdong Province and Hongkong,China (Grant No. 2007A010501008)
文摘The advantages of nitride-based dual-wavelength light-emitting diodes （LEDs） with an InA1N electron blocking layer （EBL） are studied. The emission spectra, carrier concentration in the quantum wells （QWs）, energy band and internal quantum efficiency （IQE） are investigated. The simulation results indicate that an LED with an InA1N EBL performs better over a conventional LED with an A1GaN EBL and an LED with p-type-doped QW barriers. All of the advantages are due to the enhancement of carrier confinement and the lower electron leakage current. The simulation results also show that the efficiency droop is markedly improved and the luminous intensity is greatly enhanced when an InAlN EBL is used.
基金Project supported by the National Natural Science Foundation of China （Grant No 10625416）.
文摘The electronic structures and optical properties of B3 ZnO series of Zn4X4-yMy（X ：O, S, Se or Te; M = N, Sb, C1 or I; y = 0 or 1） are studied by first-principles calculations using a pseudopotential plane-wave method. The results show that Zn d-X p orbital interactions play an important role in the p-type doping tendency in zinc-based Ⅱ-Ⅵ semiconductors. In ZnX, with increasing atomic number of X, Zn d-X p orbital interactions decrease and Zn s-X p orbital interactions increase. Additionally, substituting group-V elements for X will reduce the Zn d-X p orbital interactions while substituting group-VII elements for X will increase the Zn d-X p orbital interactions. The results also show that group-V-doped ZnX and group-Ⅷ-doped ZnX exhibit different optical behaviours due to their different orbital interaction effects.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10844003 and 10874101)the Natural Science Foundation of Shandong Province,China (Grant No. Y2008A10)the National Basic Research Program of China (Grant No. 2009CB930503)
文摘We have studied the cyclotron-resonance absorption and photoluminescence properties of the modulation n-doped ZnSe/BeTe/ZnSe type-Ⅱ quantum wells. It is shown that only the doped sample shows electron cyclotron-resonance absorption. Also, the undoped sample shows two distinctive peaks in the spatially indirect photoluminescence spectra, and the doped one shows only one peak. The results reveal that the high concentration electrons accumulated in ZnSe quantum well layers from n-doped layers can tunnel through BeTe barrier from one well layer to the other. The electron concentration difference between these two well layers originating from the tunneling results in a new additional electric field, and can cancel out a built-in electric field as observed in the undoped structures.
基金Financial support from the University Grants Commission ofIndia through the Major Research Project(F.No.40-28/2011(SR))the DST Grant(D.O.No.SR/S2/CMP-35/2004)
文摘Aluminium doped tin oxide films have been deposited onto glass substrates by using a simplified and low cost spray pyrolysis technique. The AI doping level varies between 0 and 30 at.% in the step of 5 at.%. The resistivity （p） is the minimum （0.38 Ω cm） for 20 at.% of AI doping. The possible mechanism behind the phenomenal zig-zag variation in resistivity with respect to AI doping is discussed in detail. The nature of conductivity changes from n-type to p-type when the AI doping level is 10 at.%. The results show that 20 at.% is the optimum doping level for good quality p-type SnO2：AI films suitable for transparent electronic devices.
基金financially supported by the Priority Academic Program Development of Jiangsu Higher Education Institutions(No.SZBF201437)A Funding of Jiangsu Innovation Program for Graduate Education(No.SJLX16_0429)
文摘Since perovskite solar cells appeared in 2009, its simple preparation process, high photoelectric conversion efficiency and the characteristic of low cost in preparation process let it become the hot spot of both at-home and abroad. Owing to the constant efforts of scientists, the conversion efficiency of perovskite solar cells is more than 20% now. Perovskite solar cells are mainly composed of conductive glass, electron transport layer and hole transport layer, perovskite layer and electrode parts. This paper will briefly introduce the working principle and working pro- cess about the electron transport layer of perovskite solar cells. The paper focuses on aspects such as material types （e.g., inorganic electron transport materials, organic small molecule electron transport materials, surface modified electron transport materials and doped electron transport materials）, preparation technology of electron transport layer, the effects of electron transport layer on the photo- voltaic performance of the devices, and the electron transport layer in the future research.
基金supported by the council under the President of the Russian Federation for State Support of Young Scientists (No. MD-3738.2015.3)the Russian Foundation for Basic Research (Nos. 16-33-60031 and 15-33-21012)
文摘Nanoaggregation of the thermally stable bis（2-hydroxy-9（10）,16（17）,23（24）-tri-tert-butylphthalocyanine） of J-type was observed by the field emission scanning electron microscopy（FE-SEM）. Ordered phases, represented as threads composed of about 200 nm diameter circles were discovered, unlike the parent dimeric magnesium complex, in which similar circles combine together to give visually distinguishable zones with widths of about 600 nm and the same distance between them.
基金Project supported by the National Natural Science Foundation of China (Grant No. 10747002)Inner Mongolia Universities Science Research Project (Grant No. NJzc08158)
文摘This paper studies the two-electron total energy and the energy of the electron-electron interaction by using a variational method of Pekar type on the condition of electric-LO-phonon strong coupling in a parabolic quantum dot. It considers the following three cases： 1） two electrons are in the ground state; 2） one electron is in the ground state, the other is in the first-excited state; 3） two electrons are in the first-excited state. The relations of the two-electron total energy and the energy of the electron-electron interaction on the Coulomb binding parameter, the electron-LO-phonon coupling constant and the confinement length of the quantum dot are derived in the three cases.
基金supported by the Foundation of Shanghai Municipal Education Committee,China (Grant No. 09YZ210)the Shanghai Leading Academic Discipline Project (Grant No. S30502)
文摘The electronic structures of BaMgF4 crystals containing an F colour centre are studied within the framework of the fully relativistic self-consistent Direc-Slater theory, using a numerically discrete variational （DV-Xa） method. It is concluded from the calculated results that the energy levels of the F colour centre are located in the forbidden band. The optical transition energy from the ground state to the excited state for the F colour centre is about 5.12 eV, which corresponds to the 242-nm absorption band. These calculated results can explain the origin of the absorption bands.
文摘Using formulae for one- and two-electron integrals of Coulomb interaction potential fk （r） = r^-k with non-integer indices k established by one of the authors with the help of complete orthonormal sets of ψ^α-exponential-type orbitals （α = 1, 0,-1,-2,…）, we perform the calculations for isoelectronic series of the He atom containing nuclear charges from 2 to 10, where k = 1 - μ （-1 〈 μ 〈 0）. For this purpose we have used the double-zeta approximation, the configuration interaction and coupled-cluster methods employing the integer-n Slater-type orbitals as basis sets. It is demonstrated that the results of calculations obtained are better than the numerical Hartree-Fock values.
文摘According to the Fowler theory and numerous experiments the quantum efficiency for photoemission from conductors increases with temperature. Here we show that an opposite temperature dependence is also possible, when the photoemission is from quasi-metallic surface accumulation layers of n-type semiconductors. This is due to the temperature dependence of the Fermi level energy in semiconductors. The Fermi level energy increases with decreasing temperature;this leads to a decrease of the semiconductor work function and consequently an increase of the quantum efficiency photoemission at constant value of absorbed light quanta of energy. We have calculated this effect for electron accumulation layer in n-GaN, induced by adsorption of positively charged cesium or barium ions. It is found that at low temperatures near liquid nitrogen, the quantum efficiency for photoemission increases to near 55%, which is comparable to the largest values, reported for any known photo-ca-thodes. This phenomenon may prove useful for efficient photo-cathodes operating at low temperatures.
基金Project supported by the National Natural Science Foundation of China (Grant No. 10974077)the Natural Science Foundation of Shandong Province,China (Grant No. 2009ZRB01702)the Shandong Provincial Higher Educational Science and Technology Program,China (Grant No. J10LA08)
文摘The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.
