Thin transparent oxide conducting films(TCOFs)of titanium and gallium substituted zinc oxide(TGZO)were fabricated via radio frequency(RF)magnetron sputtering technique.The effects of RF power on electrical,linear and ...Thin transparent oxide conducting films(TCOFs)of titanium and gallium substituted zinc oxide(TGZO)were fabricated via radio frequency(RF)magnetron sputtering technique.The effects of RF power on electrical,linear and nonlinear optical characteristics were investigated by Hall tester,Ultraviolet(UV)-visible spectrophotometer and optical characterization method.The results indicate that RF power significantly influences the electrical and optical properties of the deposited films.As RF power raises,the resistivity and Urbach energy fall initially and then rise,while the figure of merit,mean visible transmittance and optical bandgap show the reverse variation trend.At RF power of 190 W,the TGZO sample exhibits the highest electro-optical properties,with the maximum figure of merit(1.14×10^(4)Ω^(-1)∙cm^(-1)),mean visible transmittance(86.9%)and optical bandgap(3.50 eV),the minimum resistivity(6.26×10^(-4)Ω∙cm)and Urbach energy(174.23 meV).In addition,the optical constants of the deposited films were determined by the optical spectrum fitting method,and the RF power dependence of nonlinear optical properties was studied.It is observed that all the thin films exhibit normal dispersion characteristics in the visible region,and the nonlinear optical parameters are greatly affected by the RF power in the ultraviolet region.展开更多
The binding energy and the photon energy dependence of the photoionization cross-section are calculated for a hydrogenic impurity in GaAs/Ga 1-xAl xAs quantum well wires.The correlation between confined and non-co...The binding energy and the photon energy dependence of the photoionization cross-section are calculated for a hydrogenic impurity in GaAs/Ga 1-xAl xAs quantum well wires.The correlation between confined and non-confined direction of the wire in the variational wave function is taken into account.The results show that the photoionization cross-sections are affected by the width of the wire and that their magnitudes are larger than those in infinite potential quantum well wires.In comparison with previous's results,the variational wave function improves the binding energy and decreases the value of photoionization cross-sections of the hydrogenic impurities,which makes the results more reasonable.展开更多
Two organic dyes XSS1 and XS52 derivated from triarylamine and indoline are synthesized for dye-sensitized solar ceils (DSCs) employing cobalt and iodine redox shuttles. The effects of dye structure upon the photoph...Two organic dyes XSS1 and XS52 derivated from triarylamine and indoline are synthesized for dye-sensitized solar ceils (DSCs) employing cobalt and iodine redox shuttles. The effects of dye structure upon the photophysical, electro-chemical characteristics and cell perfor- mance are investigated. XS51 with four hexyloxyl groups on triarylamine performs better steric hindrance and an improvement of photovoltage. X852 provides higher short-circuit photocurrent density due to the strong electron-donating capability of indoline unit. The results from the redox electrolyte on cell performances indicate that the synthesized dyes are more suitable for tris(1,10-phenanthroline)cobalt(II/III) redox couple than I-/I3- redox couple in assembling DSCs. Application of X852 in the cobalt electrolyte yields a DSC with an overall power conversion efficiency of 6.58% under AM 1.5 (100 mW/cm2) irradiation.展开更多
Although outstanding microwave power performance of AlGaN/GaN HEMTs has been reported,drain current collapse is still a problem. In this paper,an experiment was carried out to demonstrate one factor causing the collap...Although outstanding microwave power performance of AlGaN/GaN HEMTs has been reported,drain current collapse is still a problem. In this paper,an experiment was carried out to demonstrate one factor causing the collapse. Two AlGaN/GaN samples were annealed under N2-atmosphere with and without carbon incorporation, and the XPS measurement technique was used to determine that the concentration of carbon impurity in the latter sample was far higher than in the former. From the comparison of two Id- Vds characteristics,we conclude that carbon impurity incorporation is responsible for the severe current collapse. The carbon impurity-induced deep traps under negative gate bias stress can capture the channel carriers, which release slowly from these traps under positive bias stress,thus causing the current collapse.展开更多
The structural, elastic, electronic and optical properties for U3Si2-type AlSc2Si2 compound under pressure were systematically investigated by using the first-principles calculations. The values of elastic constants a...The structural, elastic, electronic and optical properties for U3Si2-type AlSc2Si2 compound under pressure were systematically investigated by using the first-principles calculations. The values of elastic constants and elastic moduli indicate that AlSc2Si2 keeps mechanical stability under high pressure. The mechanical properties of AISc2Si2 are compared with those of Al3Sc. The results indicate that AlSc2Si2 is harder than AI3Sc. Anisotropic constant AU and 3D curved surface of elastic moduli predict that AISc2Si2 is obviously anisotropic under pressure. The electronic structure of AlSc2Si2 exhibits metallic character and the metallicity decreases with the elevated pressure. In addition, optical properties as a function of pressure were calculated and analyzed. The present work provides theoretical support for further experimental work and industrial applications.展开更多
In order to obtain a porous Mg electrode with a stable skeleton, organic Mg fuel cell (OMFC), the electrochemical behavior of Mg deposition on Cu and Ni metallic substrates in 1 mol/L EtMgBr/THF solution was investi...In order to obtain a porous Mg electrode with a stable skeleton, organic Mg fuel cell (OMFC), the electrochemical behavior of Mg deposition on Cu and Ni metallic substrates in 1 mol/L EtMgBr/THF solution was investigated by SEM, EDS and electrochemical methods. The experimental results show that Mg can be electrodeposited on both substrates, as a continuous layer on a Cu substrate. Accordingly, an approach for producing a porous Mg electrode with a stable skeleton of OMFC was proposed by means of electrodeposition of Mg on a foamed Ni substrate with a layer of Cu pre-plating. The discharge performance of this porous Mg electrode of OMFC is superior to that of a planar Mg electrode.展开更多
A series of CH2, NH, O, and Se substituted 2,1,3-benzothiadiazote derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emit...A series of CH2, NH, O, and Se substituted 2,1,3-benzothiadiazote derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emitting diodes. Both ab initio Hartree-Foek and hybrid density functional methods are used. It is found that S by CH2, NH, O, and Se makes it possible transport properties of the pristine molecule adjusting the central aromatic ring by replacing to fine-tune the electronic, optical, and charge展开更多
Photon induced dissociation investigations of neutral tyramine and dopamine are carried out with synchrotron vacuum uRraviolet photoionization mass spectrometry and theoretical calculations. At low photon energy, only...Photon induced dissociation investigations of neutral tyramine and dopamine are carried out with synchrotron vacuum uRraviolet photoionization mass spectrometry and theoretical calculations. At low photon energy, only molecular ions are measured by virtue of nearthreshold photoionization. While increasing photon energy to 11.7 eV or more, four distinct fragment ions are obtained for tyramine and dopamine, respectively. Besides, the ionization energies of tyramine and dopamine are determined to be 7.984-0.05 and 7.674-0.05 eV by measuring the photoionization efficiency curves of corresponding molecular ions. With help of density function theory calculations, the detailed fragmentation pathways are established as well. These two molecular cations have similar aminoethyl group elimination pathways, CTHsO2+ (m/z=124) and C7H8O+ (m/z=108) are supposed to be generated by the McLafferty rearrangement via γ-hydrogen (7-H) shift inducing β-fission. And CH2NH2+ is proposed to derive from the direct fission of C7-C8 bond. Besides, the McLafferty rearrangement and the C7-C8 bond fission are validated to be dominant dissociation pathways for tyramine and dopamine cations.展开更多
This study proposes a graphical user interface(GUI) based on an enhanced bacterial foraging optimization(EBFO) to find the optimal locations and sizing parameters of multi-type DFACTS in large-scale distribution syste...This study proposes a graphical user interface(GUI) based on an enhanced bacterial foraging optimization(EBFO) to find the optimal locations and sizing parameters of multi-type DFACTS in large-scale distribution systems.The proposed GUI based toolbox,allows the user to choose between single and multiple DFACTS allocations,followed by the type and number of them to be allocated.The EBFO is then applied to obtain optimal locations and ratings of the single and multiple DFACTS.This is found to be faster and provides more accurate results compared to the usual PSO and BFO.Results obtained with MATLAB/Simulink simulations are compared with PSO,BFO and enhanced BFO.It reveals that enhanced BFO shows quick convergence to reach the desired solution there by yielding superior solution quality.Simulation results concluded that the EBFO based multiple DFACTS allocation using DSSSC,APC and DSTATCOM is preferable to reduce power losses,improve load balancing and enhance voltage deviation index to 70%,38% and 132% respectively and also it can improve loading factor without additional power loss.展开更多
The function of protein in long-range biological electron transfer is a question of debate. We report some preliminary results in femtosecond spectroscopic study of photosynthetic bacterial light-harvesting antenna co...The function of protein in long-range biological electron transfer is a question of debate. We report some preliminary results in femtosecond spectroscopic study of photosynthetic bacterial light-harvesting antenna complex assembled onto TiO2 nanoparticle with an average size of 8 nm in diameter. Crystal structure shows that photosynthetic bacterial antenna complex LH2 has a ring-like structure composed by alpha- and beta-apoprotein helices. The alpha- and beta-transmembrance helices construct two concentric cylinders with pigments bacteriochlorophyll a (Bchl a) and carotenoid (Car) buried inside the protein. We attempt to insert TiO2 nanoparticle into the cavity of the inner cylindrical hollow of LH2 to investigate the nature of the electron transfer between the excited-state Bchl a and the TiO2 nanoparticle. A significant decrease in the ground state bleaching recovery time constant for Bchl a at 850 run (B850) in respect to that of the Bchl a in free LH2 has been observed. By using the relation of distance-dependent long-range electron transfer rate in protein, the distance between the donor B850 and the acceptor TiO2 nanoparticle has been estimated, which is about 0.6 nm. The proposed method of assembling proteins onto wide-gap semiconductor nanoparticle can be a promising way to determine the role of the protein playing in biological electron transfer processes.展开更多
The impact of N-and X(X=S,Se,Te)-codoping on electronic properties of anatase TiO2 has been systematically investigated using density functional theory (DFT).The optimized geometry shows that there is large lattic...The impact of N-and X(X=S,Se,Te)-codoping on electronic properties of anatase TiO2 has been systematically investigated using density functional theory (DFT).The optimized geometry shows that there is large lattice expansion for the codoped anatase TiO2 due to large atomic radius of the codoped atom.The calculated substitution energies indicate that incorporation of X(X =S,Se,Te) into N-doped bulk TiO2 can not promote synergistic effect on N after substituting for Ti,whcreas it is bctter after substituting for O.According to the total density of states (DOS) and corresponding partial DOS (PDOS),it can be seen that substituting X(X =S,Se,Te) for O,N 2p orbital is strongly hybridized with impurity states (S 3p,Se 4p,Te 5p).After substituting X(X=S,Se,Te) for Ti,conduction band is mainly dominated by Ti 3d orbit and S 3p (Se 4p or Te 5p)-N 2p-Ti 3d hybridized states are formed.Based on Bader analysis,it can be indicated that the electron transfer is from N to X(X=S,Se,Te) if substituting X(X=S,Se,Te) for O,but it is opposite if substitute X(X=S,Se,Te) for Ti.展开更多
In order to increase the specific energy and specific power of a lead-acid battery, lead foam grid was prepared by electrodepositing Pb-Sn alloy on a copper foam substrate and used as negative current collector for a ...In order to increase the specific energy and specific power of a lead-acid battery, lead foam grid was prepared by electrodepositing Pb-Sn alloy on a copper foam substrate and used as negative current collector for a lead acid battery whose capacity was limited by the negative plate. Comparing the effect of the cast grid, under the same conditions, the mass of lead foam grid decreases by 35%, and the area of lead foam contacted with active material increases by about 20 times. Under 2 h rate discharge condition, with a high current (3 0 I2) e and low-temperature (-10 ℃, I2) discharge system, the lead foam grid markedly boosts the discharge performance of lead acid battery. It increases not only the negative electrode mass specific capacity by 27%,37% and 29%,but also the utilization efficiency of the negative active material by 5%. Compared with the negative electrode of cast grid, XRD and SEM results show that after 20 cycles at the state of charge, the sponge lead in the negative lead foam electrode has smaller crystals and less PbSO4 on its surface. Meanwhile, at the state of full discharge, the PbSO4 crystals are smaller and occur less on the surface of lead foam electrode. This indicates its active material reacts more uniformly.展开更多
The inhibiting effect of ciprofloxacin,norfloxacin and ofloxacin on the corrosion of mild steel in 1 mol·L-1 HCl and the mechanism were studied at different temperatures using mass loss measurement,electrochemica...The inhibiting effect of ciprofloxacin,norfloxacin and ofloxacin on the corrosion of mild steel in 1 mol·L-1 HCl and the mechanism were studied at different temperatures using mass loss measurement,electrochemical method,and X-ray photoelectron spectroscopy(XPS) .Effective inhibition was shown by mass loss,potentiodynamic polarization and impedance spectroscopy measurement.The corrosion rate of the metal in the mass loss measurement,and the corrosion reaction on cathode and anode in the electrochemical measurement were accelerated when temperature was increased.XPS results showed that the inhibitors adsorbed effectively on the metal surface.展开更多
A systematic study on the structure and electronic properties of gold clusters doped each with one copper atom has been performed using the density functional theory. The average bond lengths in the Aun-1Cu (n ≤ 9)...A systematic study on the structure and electronic properties of gold clusters doped each with one copper atom has been performed using the density functional theory. The average bond lengths in the Aun-1Cu (n ≤ 9) bimetallic clusters are shorter than those in the corresponding pure gold clusters. The ionization potentials of the bimetallic clusters Aun-1Cu (n 〈 9) are larger than those of the corresponding homoatomic gold clusters except for Aus. The energy gaps of the Au-Cu binary clusters are narrower than those of the Aun clusters except AuCu and Au3Cu. No obvious even-odd effect exists in the variations of the electron affinities and ionization potentials for the Aun-1Cu (n ≤ 9) clusters, which is in contrast to the case of gold clusters Aun.展开更多
The physical characteristics and microstructure of the fluoride film formed during activation were investigated using SEM,XPS and SAM,and its stability in electroless nickel(EN) bath was analyzed.The effects of the fl...The physical characteristics and microstructure of the fluoride film formed during activation were investigated using SEM,XPS and SAM,and its stability in electroless nickel(EN) bath was analyzed.The effects of the fluoride film on EN deposition were studied additionally.The results show that the fluoride film on magnesium alloys is a kind of porous film composed of MgF2 with thickness of 1.6-3.2 μm.The composition of the activation bath and pretreatment of EN processing have influence on the composition of the fluoride film.The fluoride is stable and dissolves little in EN bath;as a result,the fluoride film can protect magnesium substrate from the corrosion of EN bath.The composition of fluoride determines the initial deposition of EN and part of the fluoride film finally exists as inclusion in EN coating.展开更多
The effects of sintering atmosphere on the properties of symmetric TiO2 membranes are studied with regard to sintering behavior, porosity, mean pore size, surface comPosition. and surface charge properties. The exerim...The effects of sintering atmosphere on the properties of symmetric TiO2 membranes are studied with regard to sintering behavior, porosity, mean pore size, surface comPosition. and surface charge properties. The exerimental results show that the symmetric TiO2 membranes display better sintering activity in the air than in argon, and the mean pore diameters and porosities of the membrane sintered in argon are higher than those of the membrane sintered in the air at the same temperature. The surface compositions of the symmetric TiO2 membrane sintered in the air and in argon at different temperatures, as studied by X-ray photoelectron spectroscopy, are discussed in terms of their chemical composition, with particular emphasis on the valence state of the titanium ions. The correlation between the valence state of the titanium ions at the surface and the surface charge properties is examined.It is found that the presence of Ti^3+, introduced at the surface of the symmetric TiO2 membranes by sintering in a lower partial pressure of oxygen, is related to a significant decrease in the isoelectric point. TiO2 with Ti^4+ at the interface has an isoelectric point of 5.1, but the non-stoichiometric TiO2-x with Ti^3+ at the interface has a lower isoelectric point of 3.6.展开更多
Photoelectric property of polyaniline doped with dodecyl-benzene sulphonic acid (DBSA) is studied. The result shows that the concentration of carrier increases obviously, when polyaniline doped with DBSA is irradiated...Photoelectric property of polyaniline doped with dodecyl-benzene sulphonic acid (DBSA) is studied. The result shows that the concentration of carrier increases obviously, when polyaniline doped with DBSA is irradiated with light. Mixture of sensitive material is advantageous to the absorption of polyaniline in visible light spectrum, and the conductivity is also improved. The results of dielectric measurements on polyaniline doped with DBSA in an Al-PAn-DBSA-Al configuration as function of frequency and temperature are reported. The space-charge polarization phenomenon is observed. Carrier lifetime is microsecond magnitude and mobility is (0.001~0.1) cm 2/V·s, which are obtained by calculation or experiment. The active energy is obtained from the relation between conductivity and temperature. The conducting mechanism of PAn-DBSA is analyzed.展开更多
文摘Thin transparent oxide conducting films(TCOFs)of titanium and gallium substituted zinc oxide(TGZO)were fabricated via radio frequency(RF)magnetron sputtering technique.The effects of RF power on electrical,linear and nonlinear optical characteristics were investigated by Hall tester,Ultraviolet(UV)-visible spectrophotometer and optical characterization method.The results indicate that RF power significantly influences the electrical and optical properties of the deposited films.As RF power raises,the resistivity and Urbach energy fall initially and then rise,while the figure of merit,mean visible transmittance and optical bandgap show the reverse variation trend.At RF power of 190 W,the TGZO sample exhibits the highest electro-optical properties,with the maximum figure of merit(1.14×10^(4)Ω^(-1)∙cm^(-1)),mean visible transmittance(86.9%)and optical bandgap(3.50 eV),the minimum resistivity(6.26×10^(-4)Ω∙cm)and Urbach energy(174.23 meV).In addition,the optical constants of the deposited films were determined by the optical spectrum fitting method,and the RF power dependence of nonlinear optical properties was studied.It is observed that all the thin films exhibit normal dispersion characteristics in the visible region,and the nonlinear optical parameters are greatly affected by the RF power in the ultraviolet region.
文摘The binding energy and the photon energy dependence of the photoionization cross-section are calculated for a hydrogenic impurity in GaAs/Ga 1-xAl xAs quantum well wires.The correlation between confined and non-confined direction of the wire in the variational wave function is taken into account.The results show that the photoionization cross-sections are affected by the width of the wire and that their magnitudes are larger than those in infinite potential quantum well wires.In comparison with previous's results,the variational wave function improves the binding energy and decreases the value of photoionization cross-sections of the hydrogenic impurities,which makes the results more reasonable.
文摘Two organic dyes XSS1 and XS52 derivated from triarylamine and indoline are synthesized for dye-sensitized solar ceils (DSCs) employing cobalt and iodine redox shuttles. The effects of dye structure upon the photophysical, electro-chemical characteristics and cell perfor- mance are investigated. XS51 with four hexyloxyl groups on triarylamine performs better steric hindrance and an improvement of photovoltage. X852 provides higher short-circuit photocurrent density due to the strong electron-donating capability of indoline unit. The results from the redox electrolyte on cell performances indicate that the synthesized dyes are more suitable for tris(1,10-phenanthroline)cobalt(II/III) redox couple than I-/I3- redox couple in assembling DSCs. Application of X852 in the cobalt electrolyte yields a DSC with an overall power conversion efficiency of 6.58% under AM 1.5 (100 mW/cm2) irradiation.
文摘Although outstanding microwave power performance of AlGaN/GaN HEMTs has been reported,drain current collapse is still a problem. In this paper,an experiment was carried out to demonstrate one factor causing the collapse. Two AlGaN/GaN samples were annealed under N2-atmosphere with and without carbon incorporation, and the XPS measurement technique was used to determine that the concentration of carbon impurity in the latter sample was far higher than in the former. From the comparison of two Id- Vds characteristics,we conclude that carbon impurity incorporation is responsible for the severe current collapse. The carbon impurity-induced deep traps under negative gate bias stress can capture the channel carriers, which release slowly from these traps under positive bias stress,thus causing the current collapse.
基金Projects(L2014051,LT2014004)supported by the Program for Scientific Technology Plan of the Educational Department of Liaoning Province,China
文摘The structural, elastic, electronic and optical properties for U3Si2-type AlSc2Si2 compound under pressure were systematically investigated by using the first-principles calculations. The values of elastic constants and elastic moduli indicate that AlSc2Si2 keeps mechanical stability under high pressure. The mechanical properties of AISc2Si2 are compared with those of Al3Sc. The results indicate that AlSc2Si2 is harder than AI3Sc. Anisotropic constant AU and 3D curved surface of elastic moduli predict that AISc2Si2 is obviously anisotropic under pressure. The electronic structure of AlSc2Si2 exhibits metallic character and the metallicity decreases with the elevated pressure. In addition, optical properties as a function of pressure were calculated and analyzed. The present work provides theoretical support for further experimental work and industrial applications.
基金Project(20973124)supported by the National Natural Science Foundation of China
文摘In order to obtain a porous Mg electrode with a stable skeleton, organic Mg fuel cell (OMFC), the electrochemical behavior of Mg deposition on Cu and Ni metallic substrates in 1 mol/L EtMgBr/THF solution was investigated by SEM, EDS and electrochemical methods. The experimental results show that Mg can be electrodeposited on both substrates, as a continuous layer on a Cu substrate. Accordingly, an approach for producing a porous Mg electrode with a stable skeleton of OMFC was proposed by means of electrodeposition of Mg on a foamed Ni substrate with a layer of Cu pre-plating. The discharge performance of this porous Mg electrode of OMFC is superior to that of a planar Mg electrode.
文摘A series of CH2, NH, O, and Se substituted 2,1,3-benzothiadiazote derivatives have been designed and investigated computationally to elucidate their potential as organic light-emitting materials for organic light-emitting diodes. Both ab initio Hartree-Foek and hybrid density functional methods are used. It is found that S by CH2, NH, O, and Se makes it possible transport properties of the pristine molecule adjusting the central aromatic ring by replacing to fine-tune the electronic, optical, and charge
基金Authors thank Dr. Yang Pan for useful discussions This work was supported by the National Natural Science Foundation of China (No.10805047).
文摘Photon induced dissociation investigations of neutral tyramine and dopamine are carried out with synchrotron vacuum uRraviolet photoionization mass spectrometry and theoretical calculations. At low photon energy, only molecular ions are measured by virtue of nearthreshold photoionization. While increasing photon energy to 11.7 eV or more, four distinct fragment ions are obtained for tyramine and dopamine, respectively. Besides, the ionization energies of tyramine and dopamine are determined to be 7.984-0.05 and 7.674-0.05 eV by measuring the photoionization efficiency curves of corresponding molecular ions. With help of density function theory calculations, the detailed fragmentation pathways are established as well. These two molecular cations have similar aminoethyl group elimination pathways, CTHsO2+ (m/z=124) and C7H8O+ (m/z=108) are supposed to be generated by the McLafferty rearrangement via γ-hydrogen (7-H) shift inducing β-fission. And CH2NH2+ is proposed to derive from the direct fission of C7-C8 bond. Besides, the McLafferty rearrangement and the C7-C8 bond fission are validated to be dominant dissociation pathways for tyramine and dopamine cations.
基金Project supported by Borujerd Branch,Islamic Azad University,Iran
文摘This study proposes a graphical user interface(GUI) based on an enhanced bacterial foraging optimization(EBFO) to find the optimal locations and sizing parameters of multi-type DFACTS in large-scale distribution systems.The proposed GUI based toolbox,allows the user to choose between single and multiple DFACTS allocations,followed by the type and number of them to be allocated.The EBFO is then applied to obtain optimal locations and ratings of the single and multiple DFACTS.This is found to be faster and provides more accurate results compared to the usual PSO and BFO.Results obtained with MATLAB/Simulink simulations are compared with PSO,BFO and enhanced BFO.It reveals that enhanced BFO shows quick convergence to reach the desired solution there by yielding superior solution quality.Simulation results concluded that the EBFO based multiple DFACTS allocation using DSSSC,APC and DSTATCOM is preferable to reduce power losses,improve load balancing and enhance voltage deviation index to 70%,38% and 132% respectively and also it can improve loading factor without additional power loss.
文摘The function of protein in long-range biological electron transfer is a question of debate. We report some preliminary results in femtosecond spectroscopic study of photosynthetic bacterial light-harvesting antenna complex assembled onto TiO2 nanoparticle with an average size of 8 nm in diameter. Crystal structure shows that photosynthetic bacterial antenna complex LH2 has a ring-like structure composed by alpha- and beta-apoprotein helices. The alpha- and beta-transmembrance helices construct two concentric cylinders with pigments bacteriochlorophyll a (Bchl a) and carotenoid (Car) buried inside the protein. We attempt to insert TiO2 nanoparticle into the cavity of the inner cylindrical hollow of LH2 to investigate the nature of the electron transfer between the excited-state Bchl a and the TiO2 nanoparticle. A significant decrease in the ground state bleaching recovery time constant for Bchl a at 850 run (B850) in respect to that of the Bchl a in free LH2 has been observed. By using the relation of distance-dependent long-range electron transfer rate in protein, the distance between the donor B850 and the acceptor TiO2 nanoparticle has been estimated, which is about 0.6 nm. The proposed method of assembling proteins onto wide-gap semiconductor nanoparticle can be a promising way to determine the role of the protein playing in biological electron transfer processes.
基金Natural Science Foundation of Shanxi Province(No.2009011014)
文摘The impact of N-and X(X=S,Se,Te)-codoping on electronic properties of anatase TiO2 has been systematically investigated using density functional theory (DFT).The optimized geometry shows that there is large lattice expansion for the codoped anatase TiO2 due to large atomic radius of the codoped atom.The calculated substitution energies indicate that incorporation of X(X =S,Se,Te) into N-doped bulk TiO2 can not promote synergistic effect on N after substituting for Ti,whcreas it is bctter after substituting for O.According to the total density of states (DOS) and corresponding partial DOS (PDOS),it can be seen that substituting X(X =S,Se,Te) for O,N 2p orbital is strongly hybridized with impurity states (S 3p,Se 4p,Te 5p).After substituting X(X=S,Se,Te) for Ti,conduction band is mainly dominated by Ti 3d orbit and S 3p (Se 4p or Te 5p)-N 2p-Ti 3d hybridized states are formed.Based on Bader analysis,it can be indicated that the electron transfer is from N to X(X=S,Se,Te) if substituting X(X=S,Se,Te) for O,but it is opposite if substitute X(X=S,Se,Te) for Ti.
文摘In order to increase the specific energy and specific power of a lead-acid battery, lead foam grid was prepared by electrodepositing Pb-Sn alloy on a copper foam substrate and used as negative current collector for a lead acid battery whose capacity was limited by the negative plate. Comparing the effect of the cast grid, under the same conditions, the mass of lead foam grid decreases by 35%, and the area of lead foam contacted with active material increases by about 20 times. Under 2 h rate discharge condition, with a high current (3 0 I2) e and low-temperature (-10 ℃, I2) discharge system, the lead foam grid markedly boosts the discharge performance of lead acid battery. It increases not only the negative electrode mass specific capacity by 27%,37% and 29%,but also the utilization efficiency of the negative active material by 5%. Compared with the negative electrode of cast grid, XRD and SEM results show that after 20 cycles at the state of charge, the sponge lead in the negative lead foam electrode has smaller crystals and less PbSO4 on its surface. Meanwhile, at the state of full discharge, the PbSO4 crystals are smaller and occur less on the surface of lead foam electrode. This indicates its active material reacts more uniformly.
基金Supported by the National Science & Technology Pillar Program(082603101c) China Postdoctoral Science Foundation (O92623101H)+2 种基金 Shandong Postdoctoral Foundation(200902040) Open Project Program of Marine Corrosion and Protection Research Center of Institute of Oceanology Chinese Academy of Science(200901005) Doctor Foundation of University of Jinan(XBS0899)
文摘The inhibiting effect of ciprofloxacin,norfloxacin and ofloxacin on the corrosion of mild steel in 1 mol·L-1 HCl and the mechanism were studied at different temperatures using mass loss measurement,electrochemical method,and X-ray photoelectron spectroscopy(XPS) .Effective inhibition was shown by mass loss,potentiodynamic polarization and impedance spectroscopy measurement.The corrosion rate of the metal in the mass loss measurement,and the corrosion reaction on cathode and anode in the electrochemical measurement were accelerated when temperature was increased.XPS results showed that the inhibitors adsorbed effectively on the metal surface.
文摘A systematic study on the structure and electronic properties of gold clusters doped each with one copper atom has been performed using the density functional theory. The average bond lengths in the Aun-1Cu (n ≤ 9) bimetallic clusters are shorter than those in the corresponding pure gold clusters. The ionization potentials of the bimetallic clusters Aun-1Cu (n 〈 9) are larger than those of the corresponding homoatomic gold clusters except for Aus. The energy gaps of the Au-Cu binary clusters are narrower than those of the Aun clusters except AuCu and Au3Cu. No obvious even-odd effect exists in the variations of the electron affinities and ionization potentials for the Aun-1Cu (n ≤ 9) clusters, which is in contrast to the case of gold clusters Aun.
基金Project(50101007) supported by the National Science Natural Foundation of China
文摘The physical characteristics and microstructure of the fluoride film formed during activation were investigated using SEM,XPS and SAM,and its stability in electroless nickel(EN) bath was analyzed.The effects of the fluoride film on EN deposition were studied additionally.The results show that the fluoride film on magnesium alloys is a kind of porous film composed of MgF2 with thickness of 1.6-3.2 μm.The composition of the activation bath and pretreatment of EN processing have influence on the composition of the fluoride film.The fluoride is stable and dissolves little in EN bath;as a result,the fluoride film can protect magnesium substrate from the corrosion of EN bath.The composition of fluoride determines the initial deposition of EN and part of the fluoride film finally exists as inclusion in EN coating.
基金Supported by the National-Basic Research Program of China (2003CB615707) and the National Natural Science Foundation of China (20636020).
文摘The effects of sintering atmosphere on the properties of symmetric TiO2 membranes are studied with regard to sintering behavior, porosity, mean pore size, surface comPosition. and surface charge properties. The exerimental results show that the symmetric TiO2 membranes display better sintering activity in the air than in argon, and the mean pore diameters and porosities of the membrane sintered in argon are higher than those of the membrane sintered in the air at the same temperature. The surface compositions of the symmetric TiO2 membrane sintered in the air and in argon at different temperatures, as studied by X-ray photoelectron spectroscopy, are discussed in terms of their chemical composition, with particular emphasis on the valence state of the titanium ions. The correlation between the valence state of the titanium ions at the surface and the surface charge properties is examined.It is found that the presence of Ti^3+, introduced at the surface of the symmetric TiO2 membranes by sintering in a lower partial pressure of oxygen, is related to a significant decrease in the isoelectric point. TiO2 with Ti^4+ at the interface has an isoelectric point of 5.1, but the non-stoichiometric TiO2-x with Ti^3+ at the interface has a lower isoelectric point of 3.6.
文摘Photoelectric property of polyaniline doped with dodecyl-benzene sulphonic acid (DBSA) is studied. The result shows that the concentration of carrier increases obviously, when polyaniline doped with DBSA is irradiated with light. Mixture of sensitive material is advantageous to the absorption of polyaniline in visible light spectrum, and the conductivity is also improved. The results of dielectric measurements on polyaniline doped with DBSA in an Al-PAn-DBSA-Al configuration as function of frequency and temperature are reported. The space-charge polarization phenomenon is observed. Carrier lifetime is microsecond magnitude and mobility is (0.001~0.1) cm 2/V·s, which are obtained by calculation or experiment. The active energy is obtained from the relation between conductivity and temperature. The conducting mechanism of PAn-DBSA is analyzed.