Quantum dot gain spectra based on harmonic oscillator model are calculated including and excluding excitons. The effects of non-equilibrium distributions are considered at low temperatures. The variations of threshold...Quantum dot gain spectra based on harmonic oscillator model are calculated including and excluding excitons. The effects of non-equilibrium distributions are considered at low temperatures. The variations of threshold current density in a wide temperature range are analyzed and the negative characteristic temperature and oscillatory characteristic temperature appearing in that temperature range are discussed. Also,the improvement of quantum dot lasers' performance is investigated through vertical stacking and p-type doping and the optimal dot density, which corresponds to minimal threshold current density,is calculated.展开更多
We measured the photoelectron spectra of Al_(n)C_(4)^(−)(n=2−4)clusters by using size-selected anion photoelectron spectroscopy.The structures of Al_(n)C_(4)^(−/0)(n=2−4)clusters were explored with quantum chemistry c...We measured the photoelectron spectra of Al_(n)C_(4)^(−)(n=2−4)clusters by using size-selected anion photoelectron spectroscopy.The structures of Al_(n)C_(4)^(−/0)(n=2−4)clusters were explored with quantum chemistry calculations and were determined by comparing the theoretical results with the experimental spectra.It is found that the most stable structure of Al_(2)C_(4)^(−) anion is a C_(2v)symmetry planar structure with two Al atoms interacting with two C_(2)units.In addition,Al_(2)C_(4)^(−) anion also has a D∞h symmetry linear structure with two Al atoms located at the two ends of a C_(4)chain,which is slightly higher in energy than the planar structure.The most stable structure of neutral Al_(2)C_(4)has a D∞h symmetry linear structure.The most stable structure of Al_(3)C_(4)^(−) anion is a planar structure with three Al atoms interacting with two C_(2)units.Whereas neutral Al_(3)C_(4)cluster has a C_(2v)symmetric V-shaped bent structure.The global minima structures of both Al_(4)C_(4)^(−) and neutral Al_(4)C_(4)are C_(2)h symmetry planar structures with four Al atoms interacting with the ends of two C_(2)units.Adaptive natural density partitioning analyses of Al_(n)C_(4)^(−)(n=2−4)clusters show that the interactions between the Al atoms and C_(2)units have bothσandπcharacters.展开更多
Traditional ligand-field theory has to be improved by taking into account both pure electronic contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved...Traditional ligand-field theory has to be improved by taking into account both pure electronic contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, the R line, t^322T1 and t^322T2 lines, t^22(^3T1)e^4T2, t^22(^3T1)e^4T1 and t2e^2(^4A2)4T1 bands, g factors of t^32 ^4A2 and t32E, four strain-induced level-splittings and R-line thermal shift of MgO:V^2+ have been calculated. The results are in very good agreement with the experimental data. It is found that for MgO:V^2+, the contributions due to electronphonon interaction (EPI) come from the first-order term; the contributions from the second-order and higher terms are insignificant. In thermal shift of R line of MgO:V^2+, the temperature-dependent contribution due to EPI is dominant. The results obtained in this work may be used in theoretical calculations of other effects of EPI.展开更多
The helium atom confined by a spherical parabolic potential well is studied employing the adiabatic hyperspherical approach method. Total energies of the ground and three low-excited states are obtained as a function ...The helium atom confined by a spherical parabolic potential well is studied employing the adiabatic hyperspherical approach method. Total energies of the ground and three low-excited states are obtained as a function of the confined potential radii. We find that the energies of a spherical parabolic potential well are in good agreement with those of an impenetrable spherical box for the larger confined potential radius. We find also that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values. The results for the three-dimensional spherical potential well and the two-dimensional disc-like potential well are compared with each other. We find that the energy difference between states in a two-dimensional parabolic potential is also obviously larger than the corresponding levels for a spherical parabolic potential.展开更多
A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged boso...A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged bosons.The important feature of the low-lying states of three charged bosons in a harmonic trap is obtained via an analysis of the energy spectrum.展开更多
Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of ...Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.展开更多
HAXPES (hard X-ray photoelectron spectroscopy) is a powerful emerging instrument in surface analysis. It extended the photoelectron energy range up to 15,000 eV and opened the possibility to study much thicker films...HAXPES (hard X-ray photoelectron spectroscopy) is a powerful emerging instrument in surface analysis. It extended the photoelectron energy range up to 15,000 eV and opened the possibility to study much thicker films, buried layers and bulk electronic properties. In order to study these features, data for the electron IMFP (inelastic mean free path) at these energies is needed. To date, only calculated IMFP are available at energies above 5,000 eV and therefore experimental validation of these calculations are essential. In this paper, a new approach for using the HAXPES spectra is presented. This approach, treats the attenuated part of the electron spectrum as a whole to calculating the average electron energy loss. This average electron energy loss is the result of inelastic collisions in the material and hence, carry with it information about the electron transport poses. Carbon layers with thicknesses between 20 and 75 nanometer deposited over copper substrate were used to test this approach at the Spanish beam-line (Spline) in the ESRF (European synchrotron radiation facility). The measured results showed good agreement with the predictions of the multiple inelastic scattering theory. In addition, an algorithm for the experimental evaluation of electron IMFP, using the measured energy loss, is proposed.展开更多
Imaging the doping elements is doped TiO2 thin film. But it is critical for understanding the photocatalytic activity of still a challenge to characterize the interactions between the dopants and the TiO2 lattice at t...Imaging the doping elements is doped TiO2 thin film. But it is critical for understanding the photocatalytic activity of still a challenge to characterize the interactions between the dopants and the TiO2 lattice at the atomic level. Here, we use high angle annular dark- field/annular bright-field scanning transmission electron microscope (HAADF/ABF-STEM) combined with electron energy loss spectroscopy (EELS) to directly image the individual Cr atoms doped in anatase TiO2(001) thin film from [100] direction. The Cr dopants, which are clearly imaged through the atomic-resolution EELS mappings while can not be seen by HADDF/ABF-STEM, occupy both the substitutional sites of Ti atoms and the interstitial sites of TiO2 matrix. Most of them preferentially locate at the substitutional sites of Ti atoms. These results provide the direct evidence for the doping structure of Cr-doped A- TiO2 thin film at the atomic level and also prove the EELS mapping is an excellent technique for characterizing the doped materials.展开更多
A system of three bosons trapped by a parabolic confinement and interacting with a short-ranged interaction has been investigated by the exact diagonafization of the Hamiltonian matrix. We report a calculation for the...A system of three bosons trapped by a parabolic confinement and interacting with a short-ranged interaction has been investigated by the exact diagonafization of the Hamiltonian matrix. We report a calculation for the energy spectrum of the low-lying states of a system of three interacting bosons. The important feature of the low-lying states of three interacting bosons trapped by a parabolic confinement is obtained via an analysis of the energy spectrum.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
Tribological properties of 150 SN mineral oil and the oils doped with different contents of zinc butyloctyldithiophosphate(T202) under magnetic field or non-magnetic field were evaluated on a four-ball tribotester by ...Tribological properties of 150 SN mineral oil and the oils doped with different contents of zinc butyloctyldithiophosphate(T202) under magnetic field or non-magnetic field were evaluated on a four-ball tribotester by applying an external magnetic field around the friction region. Moreover, the morphology and the tribochemical characteristics of worn surfaces were examined by a scanning electron microscope(SEM) and an X-ray photoelectron spectrometer(XPS). Then the lubrication mechanisms were discussed. The tribological test results indicated that the wear scar diameters(WSDs) of steel balls lubricated by the T202-containing lubricating oils and the friction coefficients of the corresponding oil under magnetic field were smaller than those without magnetic affection. The worn surface lubricated with the T202-formulated oils in a magnetic field was smoother than that obtained under the normal condition. Furthermore, the results of XPS analysis indicated that tribochemical films on the surfaces lubricated with T202-doped oils were mainly composed of compounds such as FeSO_4, FeS and ZnS. The atomic concentrations of oxygen, sulfur, iron, zinc and phosphorus species identified in T202 under magnetic field were higher than those without magnetic impact. It can be inferred that the improved anti-wear and friction-reducing ability of T202-doped oils was attributed to the promoted tribochemical reactions and the modification of the worn surfaces induced by magnetic field.展开更多
With the strong-field scheme and trigonal bases, by diagonalizing the complete d^3 energy matrix in a trigonally distorted cubic-field, the energy spectra and wavefunctions of YAl3(BO3)4:Cr^3+ have been calculated...With the strong-field scheme and trigonal bases, by diagonalizing the complete d^3 energy matrix in a trigonally distorted cubic-field, the energy spectra and wavefunctions of YAl3(BO3)4:Cr^3+ have been calculated. The rates of change of levels with respect to various parameters and the contributions to levels from various parameters are calculated, and the physical origins of various levels or splittings have been clearly and quantitatively shown. By using the wavefunctions obtained from diagonalizing the complete energy matrix, the g factors of the ground state of YAl3 (BO3 )4;Cr^3+ have been evaluated. The calculated results are in good agreement with the optical-spectral and EPR experimental data. It is demonstrated that the bonding between Cr^3+ and ligands (O^2-) is ionic.展开更多
In this paper, a negatively charged exciton trapped by a spherical parabolic quantum dot has been investigated. The energy spectra of low-lying states are calculated by means of matrix diagonalization. The important f...In this paper, a negatively charged exciton trapped by a spherical parabolic quantum dot has been investigated. The energy spectra of low-lying states are calculated by means of matrix diagonalization. The important feature of the low-lying states of the negatively charged excitons in a spherical quantum dot is obtained via an analysis of the energy spectra.展开更多
The pseudo Hermiticity with respect to the exchange operators of N-D complexHamiltonians is investigated. It is shown that if an N-D Hamiltonian is pseudo Hermitian and anyeigenfunction of it retains π_αT symmetry t...The pseudo Hermiticity with respect to the exchange operators of N-D complexHamiltonians is investigated. It is shown that if an N-D Hamiltonian is pseudo Hermitian and anyeigenfunction of it retains π_αT symmetry then the corresponding eigen value is real, where π_αis an exchange operator with respect to the permutation a of coordinates and T is the time reversaloperator. We construct a special class of N-D pseudo Hermitian Hamiltonians with respect to exchangeoperators from both N/2-D and N-D general complex Hamiltonians. Examples are presented forHamiltonians with πT symmetry (π : x reversible y, p_x reversible p_y) and the reality of thesesystems are investigated.展开更多
The laser-induced fluorescence excitation spectrum of jet-cooled NiS molecule has been recorded in the energy range of 15500 17200 cm-1. Fifteen bands have been assigned as three transition progressions:[15.65]^3Ⅱ1...The laser-induced fluorescence excitation spectrum of jet-cooled NiS molecule has been recorded in the energy range of 15500 17200 cm-1. Fifteen bands have been assigned as three transition progressions:[15.65]^3Ⅱ1(v′=0-4)-X^3∑0^-(v″=0),[15.69]^3∑0^-(v′=0-4)-X^3∑0^-(v″=0),and [15.81]^3Ⅱ1(v′=0-4)-X^3∑0^-(v″=0).Spectroscopic constants for the three newly identified electronically excited states have been determined for the first time. In addition,the lifetimes for most observed vibronic bands have also been measured.展开更多
The results of an experiment on discharges in long atmospheric pressure air gaps at a pulsed voltage of amplitude up to 800 kV and risetime 150-200 ns are analyzed. In the experiment, a radiation pulse of photon ener...The results of an experiment on discharges in long atmospheric pressure air gaps at a pulsed voltage of amplitude up to 800 kV and risetime 150-200 ns are analyzed. In the experiment, a radiation pulse of photon energy 〉 5 keV and duration 10-20 ns has been detected. It has been shown that the x-ray pulse is due to the "runaway" of electrons from the head of an anode-directed streamer. The estimated maximum bremsstrahlung energy is about 5-10 keV. The presence of a maximum in the bremsstrahlung spectrum is due to that the photons emitted by electrons are absorbed by atoms of the gas in which the discharge operates.展开更多
Six low-lying tautomers of 1-methyl-hypoxanthine have been studied at the B3LYP/aug-cc- pVDZ level. Two tautomers NTH and N9H with the comparable energies are far more stable than the others. The vertical ionization e...Six low-lying tautomers of 1-methyl-hypoxanthine have been studied at the B3LYP/aug-cc- pVDZ level. Two tautomers NTH and N9H with the comparable energies are far more stable than the others. The vertical ionization energies of the tautomers calculated with ab initio electron propagator theory in the P3/aug-cc-pVDZ approximation are in agreement with the experimental data from photoelectron spectroscopy. According to the calculated relative energies and the comparison between the simulated and the experimental photoelectron spectra, it demonstrates that there are at least two tautomers of 1-methyl-hypoxanthine in the gas-phase experiments.展开更多
Monolayer FeSe films grown on SrTiO_3(STO)substrate show superconducting gap-opening temperatures(T_c) which are almost an order of magnitude higher than those of the bulk FeSe and are highest among all known Fe-based...Monolayer FeSe films grown on SrTiO_3(STO)substrate show superconducting gap-opening temperatures(T_c) which are almost an order of magnitude higher than those of the bulk FeSe and are highest among all known Fe-based superconductors. Angle-resolved photoemission spectroscopy observed ‘‘replica bands' ' suggesting the importance of the interaction between FeSe electrons and STO phonons. These facts rejuvenated the quest for T_c enhancement mechanisms in iron-based, especially ironchalcogenide, superconductors. Here, we perform the first numerically-exact sign-problem-free quantum Monte Carlo simulations to iron-based superconductors. We(1) study the electronic pairing mechanism intrinsic to heavily electron doped FeSe films, and(2) examine the effects of electron–phonon interaction between FeSe and STO as well as nematic fluctuations on T_c. Armed with these results, we return to the question ‘‘what makes the Tcof monolayer FeSe on SrTiO_3 so high?'' in the conclusion and discussions.展开更多
We obtained n-type and p-type modified graphene by mixing quantum dots and depositing electron-acceptor molecules on the surface of graphene, respectively. The electrical and optical properties of these two types of s...We obtained n-type and p-type modified graphene by mixing quantum dots and depositing electron-acceptor molecules on the surface of graphene, respectively. The electrical and optical properties of these two types of samples were measured. For n-type modified graphene, the electrons were transferred from quantum dots to graphene. The resistance of these quantum dots in modified n-type graphene is significantly smaller than that of pristine graphene. For p-type graphene, modified by electron-acceptor organic molecules of tetracyanoethylene (TCNE), electrons were transferred from graphene to TCNE molecules. The resistance of this molecular modified p-type graphene is about 10% larger than that of pristine graphene. The charge transfer effect on the optical properties of graphene was investigated with Raman spectra.展开更多
文摘Quantum dot gain spectra based on harmonic oscillator model are calculated including and excluding excitons. The effects of non-equilibrium distributions are considered at low temperatures. The variations of threshold current density in a wide temperature range are analyzed and the negative characteristic temperature and oscillatory characteristic temperature appearing in that temperature range are discussed. Also,the improvement of quantum dot lasers' performance is investigated through vertical stacking and p-type doping and the optimal dot density, which corresponds to minimal threshold current density,is calculated.
基金supported by the Beijing Municipal Science&Technology Commission(No.Z191100007219009)the National Natural Science Foundation of China(No.21773255)。
文摘We measured the photoelectron spectra of Al_(n)C_(4)^(−)(n=2−4)clusters by using size-selected anion photoelectron spectroscopy.The structures of Al_(n)C_(4)^(−/0)(n=2−4)clusters were explored with quantum chemistry calculations and were determined by comparing the theoretical results with the experimental spectra.It is found that the most stable structure of Al_(2)C_(4)^(−) anion is a C_(2v)symmetry planar structure with two Al atoms interacting with two C_(2)units.In addition,Al_(2)C_(4)^(−) anion also has a D∞h symmetry linear structure with two Al atoms located at the two ends of a C_(4)chain,which is slightly higher in energy than the planar structure.The most stable structure of neutral Al_(2)C_(4)has a D∞h symmetry linear structure.The most stable structure of Al_(3)C_(4)^(−) anion is a planar structure with three Al atoms interacting with two C_(2)units.Whereas neutral Al_(3)C_(4)cluster has a C_(2v)symmetric V-shaped bent structure.The global minima structures of both Al_(4)C_(4)^(−) and neutral Al_(4)C_(4)are C_(2)h symmetry planar structures with four Al atoms interacting with the ends of two C_(2)units.Adaptive natural density partitioning analyses of Al_(n)C_(4)^(−)(n=2−4)clusters show that the interactions between the Al atoms and C_(2)units have bothσandπcharacters.
文摘Traditional ligand-field theory has to be improved by taking into account both pure electronic contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, the R line, t^322T1 and t^322T2 lines, t^22(^3T1)e^4T2, t^22(^3T1)e^4T1 and t2e^2(^4A2)4T1 bands, g factors of t^32 ^4A2 and t32E, four strain-induced level-splittings and R-line thermal shift of MgO:V^2+ have been calculated. The results are in very good agreement with the experimental data. It is found that for MgO:V^2+, the contributions due to electronphonon interaction (EPI) come from the first-order term; the contributions from the second-order and higher terms are insignificant. In thermal shift of R line of MgO:V^2+, the temperature-dependent contribution due to EPI is dominant. The results obtained in this work may be used in theoretical calculations of other effects of EPI.
基金The project supported by National Natural Science Foundation of China under Grant No. 10475021 and the Natural Science Foundation of Guangdong Province under Grant No. 04009519
文摘The helium atom confined by a spherical parabolic potential well is studied employing the adiabatic hyperspherical approach method. Total energies of the ground and three low-excited states are obtained as a function of the confined potential radii. We find that the energies of a spherical parabolic potential well are in good agreement with those of an impenetrable spherical box for the larger confined potential radius. We find also that the confinement may cause accidental degeneracies between levels with different low-excited states and the inversion of the energy values. The results for the three-dimensional spherical potential well and the two-dimensional disc-like potential well are compared with each other. We find that the energy difference between states in a two-dimensional parabolic potential is also obviously larger than the corresponding levels for a spherical parabolic potential.
文摘A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged bosons.The important feature of the low-lying states of three charged bosons in a harmonic trap is obtained via an analysis of the energy spectrum.
文摘Traditional ligand-field theory has to be improved by taking into account both 'pure electronic' contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.
文摘HAXPES (hard X-ray photoelectron spectroscopy) is a powerful emerging instrument in surface analysis. It extended the photoelectron energy range up to 15,000 eV and opened the possibility to study much thicker films, buried layers and bulk electronic properties. In order to study these features, data for the electron IMFP (inelastic mean free path) at these energies is needed. To date, only calculated IMFP are available at energies above 5,000 eV and therefore experimental validation of these calculations are essential. In this paper, a new approach for using the HAXPES spectra is presented. This approach, treats the attenuated part of the electron spectrum as a whole to calculating the average electron energy loss. This average electron energy loss is the result of inelastic collisions in the material and hence, carry with it information about the electron transport poses. Carbon layers with thicknesses between 20 and 75 nanometer deposited over copper substrate were used to test this approach at the Spanish beam-line (Spline) in the ESRF (European synchrotron radiation facility). The measured results showed good agreement with the predictions of the multiple inelastic scattering theory. In addition, an algorithm for the experimental evaluation of electron IMFP, using the measured energy loss, is proposed.
基金supported by the Ministry of Science and Technology of China(No.2016YFA0200603 and No.2013CB834605)the"Strategic Priority Research Program"of CAS(No.XDB01020100)+1 种基金the National Natural Science Foundation of China(No.91421313,No.21421063,and No.21573207)Anhui Provincial Natural Science Foundation(1708085MA06)
文摘Imaging the doping elements is doped TiO2 thin film. But it is critical for understanding the photocatalytic activity of still a challenge to characterize the interactions between the dopants and the TiO2 lattice at the atomic level. Here, we use high angle annular dark- field/annular bright-field scanning transmission electron microscope (HAADF/ABF-STEM) combined with electron energy loss spectroscopy (EELS) to directly image the individual Cr atoms doped in anatase TiO2(001) thin film from [100] direction. The Cr dopants, which are clearly imaged through the atomic-resolution EELS mappings while can not be seen by HADDF/ABF-STEM, occupy both the substitutional sites of Ti atoms and the interstitial sites of TiO2 matrix. Most of them preferentially locate at the substitutional sites of Ti atoms. These results provide the direct evidence for the doping structure of Cr-doped A- TiO2 thin film at the atomic level and also prove the EELS mapping is an excellent technique for characterizing the doped materials.
基金The project supported by National Natural Science Foundation of China under Grant No. 10475021.
文摘A system of three bosons trapped by a parabolic confinement and interacting with a short-ranged interaction has been investigated by the exact diagonafization of the Hamiltonian matrix. We report a calculation for the energy spectrum of the low-lying states of a system of three interacting bosons. The important feature of the low-lying states of three interacting bosons trapped by a parabolic confinement is obtained via an analysis of the energy spectrum.
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.
基金financial support provided by the National Natural Science Foundation of China(Project No.51375491)the Natural Science Foundation of Chongqing(Project No.CSTC,2014JCYJAA50021)the Innovation Fund of Logistical Engineering University(Project No.YZ13-43703)
文摘Tribological properties of 150 SN mineral oil and the oils doped with different contents of zinc butyloctyldithiophosphate(T202) under magnetic field or non-magnetic field were evaluated on a four-ball tribotester by applying an external magnetic field around the friction region. Moreover, the morphology and the tribochemical characteristics of worn surfaces were examined by a scanning electron microscope(SEM) and an X-ray photoelectron spectrometer(XPS). Then the lubrication mechanisms were discussed. The tribological test results indicated that the wear scar diameters(WSDs) of steel balls lubricated by the T202-containing lubricating oils and the friction coefficients of the corresponding oil under magnetic field were smaller than those without magnetic affection. The worn surface lubricated with the T202-formulated oils in a magnetic field was smoother than that obtained under the normal condition. Furthermore, the results of XPS analysis indicated that tribochemical films on the surfaces lubricated with T202-doped oils were mainly composed of compounds such as FeSO_4, FeS and ZnS. The atomic concentrations of oxygen, sulfur, iron, zinc and phosphorus species identified in T202 under magnetic field were higher than those without magnetic impact. It can be inferred that the improved anti-wear and friction-reducing ability of T202-doped oils was attributed to the promoted tribochemical reactions and the modification of the worn surfaces induced by magnetic field.
基金The author would like to thank professor Ma DongPing for his kind guidance and helpful discussions.
文摘With the strong-field scheme and trigonal bases, by diagonalizing the complete d^3 energy matrix in a trigonally distorted cubic-field, the energy spectra and wavefunctions of YAl3(BO3)4:Cr^3+ have been calculated. The rates of change of levels with respect to various parameters and the contributions to levels from various parameters are calculated, and the physical origins of various levels or splittings have been clearly and quantitatively shown. By using the wavefunctions obtained from diagonalizing the complete energy matrix, the g factors of the ground state of YAl3 (BO3 )4;Cr^3+ have been evaluated. The calculated results are in good agreement with the optical-spectral and EPR experimental data. It is demonstrated that the bonding between Cr^3+ and ligands (O^2-) is ionic.
基金The project supported by National Natural Science Foundation of China under Grant No. 10475021 and the Natured Science Foundation of Guangdong Province of China under Grant No. 04009519
文摘In this paper, a negatively charged exciton trapped by a spherical parabolic quantum dot has been investigated. The energy spectra of low-lying states are calculated by means of matrix diagonalization. The important feature of the low-lying states of the negatively charged excitons in a spherical quantum dot is obtained via an analysis of the energy spectra.
文摘The pseudo Hermiticity with respect to the exchange operators of N-D complexHamiltonians is investigated. It is shown that if an N-D Hamiltonian is pseudo Hermitian and anyeigenfunction of it retains π_αT symmetry then the corresponding eigen value is real, where π_αis an exchange operator with respect to the permutation a of coordinates and T is the time reversaloperator. We construct a special class of N-D pseudo Hermitian Hamiltonians with respect to exchangeoperators from both N/2-D and N-D general complex Hamiltonians. Examples are presented forHamiltonians with πT symmetry (π : x reversible y, p_x reversible p_y) and the reality of thesesystems are investigated.
基金V. ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China (No.20673107), the National Key Basic Research Special Foundation of China (No.G2007CB815203), and the Chinese Academy of Sciences (No.KJCX2-YW-N24).
文摘The laser-induced fluorescence excitation spectrum of jet-cooled NiS molecule has been recorded in the energy range of 15500 17200 cm-1. Fifteen bands have been assigned as three transition progressions:[15.65]^3Ⅱ1(v′=0-4)-X^3∑0^-(v″=0),[15.69]^3∑0^-(v′=0-4)-X^3∑0^-(v″=0),and [15.81]^3Ⅱ1(v′=0-4)-X^3∑0^-(v″=0).Spectroscopic constants for the three newly identified electronically excited states have been determined for the first time. In addition,the lifetimes for most observed vibronic bands have also been measured.
文摘The results of an experiment on discharges in long atmospheric pressure air gaps at a pulsed voltage of amplitude up to 800 kV and risetime 150-200 ns are analyzed. In the experiment, a radiation pulse of photon energy 〉 5 keV and duration 10-20 ns has been detected. It has been shown that the x-ray pulse is due to the "runaway" of electrons from the head of an anode-directed streamer. The estimated maximum bremsstrahlung energy is about 5-10 keV. The presence of a maximum in the bremsstrahlung spectrum is due to that the photons emitted by electrons are absorbed by atoms of the gas in which the discharge operates.
文摘Six low-lying tautomers of 1-methyl-hypoxanthine have been studied at the B3LYP/aug-cc- pVDZ level. Two tautomers NTH and N9H with the comparable energies are far more stable than the others. The vertical ionization energies of the tautomers calculated with ab initio electron propagator theory in the P3/aug-cc-pVDZ approximation are in agreement with the experimental data from photoelectron spectroscopy. According to the calculated relative energies and the comparison between the simulated and the experimental photoelectron spectra, it demonstrates that there are at least two tautomers of 1-methyl-hypoxanthine in the gas-phase experiments.
基金the National Supercomputer Center in Guangzhou for computational supportZXL and HY were supported in part by the National Thousand Young-Talents Program and the National Natural Science Foundation of China (11474175)+1 种基金FW was supported by the National Natural Science Foundation of China (11374018)DHL was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, Grant DE-AC0205CH11231
文摘Monolayer FeSe films grown on SrTiO_3(STO)substrate show superconducting gap-opening temperatures(T_c) which are almost an order of magnitude higher than those of the bulk FeSe and are highest among all known Fe-based superconductors. Angle-resolved photoemission spectroscopy observed ‘‘replica bands' ' suggesting the importance of the interaction between FeSe electrons and STO phonons. These facts rejuvenated the quest for T_c enhancement mechanisms in iron-based, especially ironchalcogenide, superconductors. Here, we perform the first numerically-exact sign-problem-free quantum Monte Carlo simulations to iron-based superconductors. We(1) study the electronic pairing mechanism intrinsic to heavily electron doped FeSe films, and(2) examine the effects of electron–phonon interaction between FeSe and STO as well as nematic fluctuations on T_c. Armed with these results, we return to the question ‘‘what makes the Tcof monolayer FeSe on SrTiO_3 so high?'' in the conclusion and discussions.
基金supported by the National Natural Science Foundation of China (Grant Nos. 90923003, 10874234, 20703064 and 10804015)the Natural Science Foundation of Liaoning Province (Grant No. 20102039)
文摘We obtained n-type and p-type modified graphene by mixing quantum dots and depositing electron-acceptor molecules on the surface of graphene, respectively. The electrical and optical properties of these two types of samples were measured. For n-type modified graphene, the electrons were transferred from quantum dots to graphene. The resistance of these quantum dots in modified n-type graphene is significantly smaller than that of pristine graphene. For p-type graphene, modified by electron-acceptor organic molecules of tetracyanoethylene (TCNE), electrons were transferred from graphene to TCNE molecules. The resistance of this molecular modified p-type graphene is about 10% larger than that of pristine graphene. The charge transfer effect on the optical properties of graphene was investigated with Raman spectra.