Mo(CO)6 adsorption on the clean, oxygen-precovered and deeply oxidized Si(lll) surfaces was comparatively investigated by high-resolution electron energy loss spectroscopy. The downward vibrational frequency shift...Mo(CO)6 adsorption on the clean, oxygen-precovered and deeply oxidized Si(lll) surfaces was comparatively investigated by high-resolution electron energy loss spectroscopy. The downward vibrational frequency shift of the C-O stretching mode in adsorbed Mo(CO)6 illustrates that different interactions of adsorbed Mo(CO)6 occur on clean Si(111) and SiO2/Si(111) surfaces, weak on the former and strong on the latter. The strong interaction on SiO2/Si(111) might lead to the partial dissociation of Mo(CO)6, consequently the formation of molybdenum subcarbonyls. Therefore, employing Mo(CO)6 as the precursor, metallic molybdenum could be successfully deposited on the SiO2/Si(111) surface but not on the clean Si(111) surface. A portion of the deposited metallic molybdenum is transformed into the MoOa on the SiO2/Si(111) surface upon heating, and the evolved MoO3 finally desorbs from the substrate upon annealing at elevated temperatures.展开更多
A new kinetic spectrophotometric method has been developed for the determination of iron (Ⅲ). The method is based on the catalytic effect of iron (Ⅲ) on the oxidation of weak acid brilliant blue dye (RAWL) by ...A new kinetic spectrophotometric method has been developed for the determination of iron (Ⅲ). The method is based on the catalytic effect of iron (Ⅲ) on the oxidation of weak acid brilliant blue dye (RAWL) by KIO4 in acid medium. The advantages of the proposed method are that it is sensitive, accurate, rapid, inexpensive, can be operated under room temperature and has a large determination concentration range compared to other techniques. The obtained optimum conditions are: pH 3.15, RAWL (200 mgL^-1) 5.00mL, Potassium periodate solution (0.01 molL^-1) 0.30mL, phenanthroline (0.02 molL^-1) 1.00mL, reaction temperature 25℃ and reaction time 7 min. With this method iron could quantitively be determined in the range 0.00-0.02 mgL^-1, the detection limit being 4.10 × 10^10gmL^-1. The relative standard deviations (RSD) in five replicate determinations for 3 μgL^-1and 5 μgL^-1 iron (Ⅲ) are 3.1% and 1.9%, respectively. The method has been applied to the determination of iron (Ⅲ) in tap water samples and seawater samples (from the South China Sea), the recovery rates being 98.0% and 100.5%, respectively.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
The strong collecting performance of N-laurel-1,3-diaminopropane(ND13) with respect to quartz encouraged us to study its separation of hematite and quartz mixtures in a laboratory cell flotation test The results sho...The strong collecting performance of N-laurel-1,3-diaminopropane(ND13) with respect to quartz encouraged us to study its separation of hematite and quartz mixtures in a laboratory cell flotation test The results show that the best separation results can be achieved when the pulp pH is 7.27 and 58.3 mg/L collector plus 6.67 mg/L depressant are added to the mixture.Products with 58.45%,62.78%and 63.72% iron grades can be achieved respectively when mass ratio of hematite to quartz is 2:3,1:1,and 3:2.The adsorption mechanism of ND13 on a quartz surface was investigated by zeta-potential and X-ray photoelectron spectroscopy measurements.The results reveal that electrostatic and hydrogen bonding adsorption take place between ND13 and the quartz surface,and that ND13 mainly interacts with the oxygen atoms on the quartz surface.展开更多
The PD(X^3∑^-) interaction potential is constructed using the CCSD(T) theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ω...The PD(X^3∑^-) interaction potential is constructed using the CCSD(T) theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ωe, ωeχe, αe, and Be are of 3.056 99 eV, 3.161 75 eV, 0.142 39 nm, 1701.558 cm^-1, 23.6583 cm^-1, 0.085 99 cm^-1, and 4.3963 cm^-1, respectively, which almost perfectly conform with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Sehrodinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which favorably agree with the experiments. The total and various partial-wave cross sections are calculated for the elastic impact between two ground-state P and D atoms at 1.0 × 10^-12 - 1.0 × 10^-4 a.u. when they approach each other along the PD(X^3∑^-) potential. No shape resonances exist in the total elastic cross sections, though the peaks can be found for each partial wave until l=6. The shape of the total elastic cross sections is dominated by the s partial wave at very low temperatures. Due to the weakness of the shape resonances of each partial wave, they are all passed into oblivion by the strong total elastic cross sections.展开更多
Response spectra of fixed offshore structures impacted by extreme waves are investigated based on the higher order components of the nonlinear drag force. In this way, steel jacket platforms are simplified as a mass a...Response spectra of fixed offshore structures impacted by extreme waves are investigated based on the higher order components of the nonlinear drag force. In this way, steel jacket platforms are simplified as a mass attached to a light cantilever cylinder and their corresponding deformation response spectra are estimated by utilizing a generalized single degree of freedom system. Based on the wave data recorded in the Persian Gulf region, extreme wave loading conditions corresponding to different return periods are exerted on the offshore structures. Accordingly, the effect of the higher order components of the drag force is considered and compared to the linearized state for different sea surface levels. When the fundamental period of the offshore structure is about one third of the main period of wave loading, the results indicate the linearized drag term is not capable of achieving a reliable deformation response spectrum.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
From the viewpoint of field synergy principle and dipole radiation theory, the interaction between the incident thermal radiation wave and materials is analyzed to reveal the mechanism of selective absorption of incid...From the viewpoint of field synergy principle and dipole radiation theory, the interaction between the incident thermal radiation wave and materials is analyzed to reveal the mechanism of selective absorption of incident thermal radiation. It is shown that the frequency of the incident thermal radiation and the damping constant of damping oscillators in materials are of vital importance for the thermal radiation properties (reflectivity, absorptivity, transmissivity, etc.) of materials.展开更多
In this work, predictions of the spectral energy distribution from populations of single and binary stars are incorporated into a galactic chemical and color evolution model to explore the significance of the effects ...In this work, predictions of the spectral energy distribution from populations of single and binary stars are incorporated into a galactic chemical and color evolution model to explore the significance of the effects of the binary interactions on the color evolution of M33. We first constructed a model without binary interactions, and the model is able to reproduce most of the available observational constraints on the distribution of stellar parameters. We then run simulations with the same set of model parameters but with binary interactions considered. By comparing the results for the populations with and without binary interactions, we find that the inclusion of binary interactions makes the surface brightness greater (~0.1 mag arcsec 2) in FUV-band but smaller (~0.7 mag arcsec 2) in K-band, while it results in the FUV K color bluer (~0.8 mag). To reproduce the observations, a model that considers the binary interactions should make more gas fall onto the disk in the early time of the galaxy evolution, or increase the total stellar mass, or both.展开更多
文摘Mo(CO)6 adsorption on the clean, oxygen-precovered and deeply oxidized Si(lll) surfaces was comparatively investigated by high-resolution electron energy loss spectroscopy. The downward vibrational frequency shift of the C-O stretching mode in adsorbed Mo(CO)6 illustrates that different interactions of adsorbed Mo(CO)6 occur on clean Si(111) and SiO2/Si(111) surfaces, weak on the former and strong on the latter. The strong interaction on SiO2/Si(111) might lead to the partial dissociation of Mo(CO)6, consequently the formation of molybdenum subcarbonyls. Therefore, employing Mo(CO)6 as the precursor, metallic molybdenum could be successfully deposited on the SiO2/Si(111) surface but not on the clean Si(111) surface. A portion of the deposited metallic molybdenum is transformed into the MoOa on the SiO2/Si(111) surface upon heating, and the evolved MoO3 finally desorbs from the substrate upon annealing at elevated temperatures.
文摘A new kinetic spectrophotometric method has been developed for the determination of iron (Ⅲ). The method is based on the catalytic effect of iron (Ⅲ) on the oxidation of weak acid brilliant blue dye (RAWL) by KIO4 in acid medium. The advantages of the proposed method are that it is sensitive, accurate, rapid, inexpensive, can be operated under room temperature and has a large determination concentration range compared to other techniques. The obtained optimum conditions are: pH 3.15, RAWL (200 mgL^-1) 5.00mL, Potassium periodate solution (0.01 molL^-1) 0.30mL, phenanthroline (0.02 molL^-1) 1.00mL, reaction temperature 25℃ and reaction time 7 min. With this method iron could quantitively be determined in the range 0.00-0.02 mgL^-1, the detection limit being 4.10 × 10^10gmL^-1. The relative standard deviations (RSD) in five replicate determinations for 3 μgL^-1and 5 μgL^-1 iron (Ⅲ) are 3.1% and 1.9%, respectively. The method has been applied to the determination of iron (Ⅲ) in tap water samples and seawater samples (from the South China Sea), the recovery rates being 98.0% and 100.5%, respectively.
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.
基金Financial support for this research provided by the National Key Technology Development and Research Programs of China(Nos. 2008BAB32B14 and 2008BAB31B03)
文摘The strong collecting performance of N-laurel-1,3-diaminopropane(ND13) with respect to quartz encouraged us to study its separation of hematite and quartz mixtures in a laboratory cell flotation test The results show that the best separation results can be achieved when the pulp pH is 7.27 and 58.3 mg/L collector plus 6.67 mg/L depressant are added to the mixture.Products with 58.45%,62.78%and 63.72% iron grades can be achieved respectively when mass ratio of hematite to quartz is 2:3,1:1,and 3:2.The adsorption mechanism of ND13 on a quartz surface was investigated by zeta-potential and X-ray photoelectron spectroscopy measurements.The results reveal that electrostatic and hydrogen bonding adsorption take place between ND13 and the quartz surface,and that ND13 mainly interacts with the oxygen atoms on the quartz surface.
基金Supported by the Program for Science & Technology Innovation Talents in Universities of Henan Province in China under GrantNo. 2008HASTIT008the National Natural Science Foundation of China under Grant Nos. 60777012 and 10874064
文摘The PD(X^3∑^-) interaction potential is constructed using the CCSD(T) theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ωe, ωeχe, αe, and Be are of 3.056 99 eV, 3.161 75 eV, 0.142 39 nm, 1701.558 cm^-1, 23.6583 cm^-1, 0.085 99 cm^-1, and 4.3963 cm^-1, respectively, which almost perfectly conform with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Sehrodinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which favorably agree with the experiments. The total and various partial-wave cross sections are calculated for the elastic impact between two ground-state P and D atoms at 1.0 × 10^-12 - 1.0 × 10^-4 a.u. when they approach each other along the PD(X^3∑^-) potential. No shape resonances exist in the total elastic cross sections, though the peaks can be found for each partial wave until l=6. The shape of the total elastic cross sections is dominated by the s partial wave at very low temperatures. Due to the weakness of the shape resonances of each partial wave, they are all passed into oblivion by the strong total elastic cross sections.
文摘Response spectra of fixed offshore structures impacted by extreme waves are investigated based on the higher order components of the nonlinear drag force. In this way, steel jacket platforms are simplified as a mass attached to a light cantilever cylinder and their corresponding deformation response spectra are estimated by utilizing a generalized single degree of freedom system. Based on the wave data recorded in the Persian Gulf region, extreme wave loading conditions corresponding to different return periods are exerted on the offshore structures. Accordingly, the effect of the higher order components of the drag force is considered and compared to the linearized state for different sea surface levels. When the fundamental period of the offshore structure is about one third of the main period of wave loading, the results indicate the linearized drag term is not capable of achieving a reliable deformation response spectrum.
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.
文摘From the viewpoint of field synergy principle and dipole radiation theory, the interaction between the incident thermal radiation wave and materials is analyzed to reveal the mechanism of selective absorption of incident thermal radiation. It is shown that the frequency of the incident thermal radiation and the damping constant of damping oscillators in materials are of vital importance for the thermal radiation properties (reflectivity, absorptivity, transmissivity, etc.) of materials.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11033008 and 10821061)the Chinese Academy of Sciences (Grant No. KJCX2-YW-T24)
文摘In this work, predictions of the spectral energy distribution from populations of single and binary stars are incorporated into a galactic chemical and color evolution model to explore the significance of the effects of the binary interactions on the color evolution of M33. We first constructed a model without binary interactions, and the model is able to reproduce most of the available observational constraints on the distribution of stellar parameters. We then run simulations with the same set of model parameters but with binary interactions considered. By comparing the results for the populations with and without binary interactions, we find that the inclusion of binary interactions makes the surface brightness greater (~0.1 mag arcsec 2) in FUV-band but smaller (~0.7 mag arcsec 2) in K-band, while it results in the FUV K color bluer (~0.8 mag). To reproduce the observations, a model that considers the binary interactions should make more gas fall onto the disk in the early time of the galaxy evolution, or increase the total stellar mass, or both.