Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existen...Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existence of aromatic structure,heteroatom structure and fat structure in coal.MS(materials studio)software was used to optimize and construct a 3D molecular structure model of coal.A method for establishing a coal molecular structure model was formed,which was“determination of key structures in coal,construction of planar molecular structure model,and optimization of three-dimensional molecular structure model”.The structural differences were compared and analyzed.The results show that with the increase of coal rank,the dehydrogenation of cycloalkanes in coal is continuously enhanced,and the content of heteroatoms in the aromatic ring decreases.The heteroatoms and branch chains in the coal are reduced,and the structure is more orderly and tight.The stability of the structure is determined by theπ-πinteraction between the aromatic rings in the nonbonding energy EN.Key Stretching Energy The size of EB determines how tight the structure is.The research results provide a method and reference for the study of the molecular structure of medium and high coal ranks.展开更多
Electroless deposition has been used to deposit Ni-P films on glass slides using the reducing agent sodium hypophosphite. This has been done with a purpose to use Ni-P films as back contact for silicon carbide radiati...Electroless deposition has been used to deposit Ni-P films on glass slides using the reducing agent sodium hypophosphite. This has been done with a purpose to use Ni-P films as back contact for silicon carbide radiation detectors. By keeping deposition time, temperature, pH and concentration of the precursor solution constant, the film deposition has been done. XPS studies were done to analyze the composition and stoichiometry of Ni-P thin films.展开更多
Using viscose fiber (VF) as starting material and common steam as activating agent, formation of oxygen structures in activated carbon fiber is investigated. In the preparation of samples, VF was first heated at tempe...Using viscose fiber (VF) as starting material and common steam as activating agent, formation of oxygen structures in activated carbon fiber is investigated. In the preparation of samples, VF was first heated at temperatures between 450℃ and 900℃ in N_2 artmosphere. Then, in a successive activation stage, the product carbonized at 600℃ was activated in steam at 450-900℃ for 30 min, and at 600℃ for 5-30 min. The other carbonization products were activated at 600 and 900℃ for 30 min respectively. The products activated at 900℃ were then activated at 450℃ for 30 min again. The starting materiah carbonized products and all activation products were examined by FT-IR spectroscopy and some products were examined by X-ray photoelectron spectroscope (XPS). And the yields of the carbonized and activated products were calculated. By analysing these spectra, the amount of oxygen-containing functional groups of the activated products attained under various activation time, various activation temperature and various previous carbonization temperature was determined.展开更多
As a thin film solar cell absorber material, antimony selenide (Sb<sub>2</sub>Se<sub>3</sub>) has become a potential candidate recently because of its unique optical and electrical properties a...As a thin film solar cell absorber material, antimony selenide (Sb<sub>2</sub>Se<sub>3</sub>) has become a potential candidate recently because of its unique optical and electrical properties and easy fabrication method. X-ray photoelectron spectroscopy (XPS) was used to determine the stoichiometry and composition of electroless Sb<sub>2</sub>Se<sub>3</sub> thin films using depth profile studies. The surface layers were analyzed nearly stoichiometric. But the abundant amount of antimony makes the inner layer electrically more conductive.展开更多
The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS s...The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS spectra of these adsorption configurations have been calculated by using the density functional theory(DFT)method and fullcore hole(FCH)approximation to investigate the relationship between the adsorption configurations and the spectra.The result shows that the XPS and NEXAFS spectra are structurally dependent on the configurations of pyrrole absorbed on the Si(100)surface.Compared with the XPS,the NEXAFS spectra are relatively sensitive to the adsorption configurations and can accurately identify them.The NEXAFS decomposition spectra produced by non-equivalent carbon atoms have also been calculated and show that the spectral features vary with the diverse types of carbon atoms and their structural environments.展开更多
Sb<sub>2</sub>S<sub>3</sub> has gained tremendous research recently for thin film solar cell absorber material because of their easy synthesis, unique electrical and optical properties. The sto...Sb<sub>2</sub>S<sub>3</sub> has gained tremendous research recently for thin film solar cell absorber material because of their easy synthesis, unique electrical and optical properties. The stoichiometry and composition of electroless Sb<sub>2</sub>S<sub>3</sub> thin films were analyzed using XPS depth profile studies. The surface layers were found nearly stoichiometric. On the other hand, the inner layer was rich in antimony composition making it more conductive electrically.展开更多
Spray pyrolysis method was used to deposit Lutetium Oxide (Lu<sub>2</sub>O<sub>3</sub>) thin films using lutetium (III) chloride as source material and water as oxidizer. Annealing was carried ...Spray pyrolysis method was used to deposit Lutetium Oxide (Lu<sub>2</sub>O<sub>3</sub>) thin films using lutetium (III) chloride as source material and water as oxidizer. Annealing was carried out in argon atmosphere at 450°C for 60 minutes of the films. To investigate the composition and stoichiometry of sprayed as-deposited and annealed Lu<sub>2</sub>O<sub>3</sub> thin films, depth profile studies using X-ray photoelectron spectroscopy (XPS) was done. Nearly stoichiometric was observed for both annealed and as-deposited films in inner and surface layers.展开更多
Ga<sub>2</sub>O<sub>3</sub> thin films were fabricated by spray pyrolysis method using gallium acetylacetonate as source material and water as oxidizer. The films were annealed at 450°C fo...Ga<sub>2</sub>O<sub>3</sub> thin films were fabricated by spray pyrolysis method using gallium acetylacetonate as source material and water as oxidizer. The films were annealed at 450°C for 60 minutes in argon atmosphere. X-ray photoelectron spectroscopy (XPS) depth profile studies were carried out to analyze the stoichiometry and composition of sprayed as-deposited and annealed Ga<sub>2</sub>O<sub>3</sub> thin films. Surface layers and the inner layers of as-deposited and annealed films were found nearly stoichiometric.展开更多
High-quality needle-like CuTaS3 single crystals have been synthesized through a chemical vapor transport（CVT） process.Crystallographic data show the special double chains of edge-sharing TaS6 octahedra.The detailed ...High-quality needle-like CuTaS3 single crystals have been synthesized through a chemical vapor transport（CVT） process.Crystallographic data show the special double chains of edge-sharing TaS6 octahedra.The detailed XPS analysis of CuTaS3 was undertaken and the valence states can be described by Cu＋Ta5＋3S2-.In addition,CuTaS3 crystals were characterized with Raman spectroscopy.展开更多
The geometric and electronic structures of several possible adsorption configurations of the pyrazine(C4H4N2)molecule covalently attached to Si(100)surface,which is of vital importance in fabricating functional nano-d...The geometric and electronic structures of several possible adsorption configurations of the pyrazine(C4H4N2)molecule covalently attached to Si(100)surface,which is of vital importance in fabricating functional nano-devices,have been investigated using X-ray spectroscopies.The Carbon K-shell(1s)X-ray photoelectron spectroscopy(XPS)and near-edge X-ray absorption fine structure(NEXAFS)spectroscopy of predicted adsorbed structures have been simulated by density functional theory with cluster model calculations.Both XPS and NEXAFS spectra demonstrate the structural dependence on different adsorption configurations.In contrast to the XPS spectra,it is found that the NEXAFS spectra exhibiting conspicuous dependence on the structures of all the studied pyrazine/Si(100)systems can be well utilized for structural identification.In addition,according to the classification of carbon atoms,the spectral components of carbon atoms in different chemical environments have been investigated in the NEXAFS spectra as well.展开更多
Molybdenum oxide films were fabricated successfully by spin coating from Li＋- doped peroxo- polymolybdate solution via sol- gel technique.Their electrochemical and electrochromic properties were investigated by cycli...Molybdenum oxide films were fabricated successfully by spin coating from Li＋- doped peroxo- polymolybdate solution via sol- gel technique.Their electrochemical and electrochromic properties were investigated by cyclic voltammetry and in- situ UV transmittance measurements.The results showed that the films possessed excellent electrochemical stability and reversibility.The electrochromic mechanism of the MoO3 was discussed by using results obtained from X- ray photoelectron spectroscopy (XPS).The results showed that the most part of the Mo6＋ in MoO3 film was reduced to Mo5＋ and Mo4＋ ions during the Li＋ intercalation process,Mo4＋ was oxidized to Mo5＋ and part of Mo5＋ was oxidized to Mo6＋ again during the Li＋ deintercalation process.So it was considered that Mo4＋ ions existed in the colored MoO3 films.展开更多
基金supported by the National Natural Science Foundation of China(41872174 and 42072189)the Program for Innovative Research Team(in Science and Technology)in the Universities of Henan Province,China(21IRTSTHN007)the Program for Innovative Research Team(in Science and Technology)of Henan Polytechnic University(T2020-4)。
文摘Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existence of aromatic structure,heteroatom structure and fat structure in coal.MS(materials studio)software was used to optimize and construct a 3D molecular structure model of coal.A method for establishing a coal molecular structure model was formed,which was“determination of key structures in coal,construction of planar molecular structure model,and optimization of three-dimensional molecular structure model”.The structural differences were compared and analyzed.The results show that with the increase of coal rank,the dehydrogenation of cycloalkanes in coal is continuously enhanced,and the content of heteroatoms in the aromatic ring decreases.The heteroatoms and branch chains in the coal are reduced,and the structure is more orderly and tight.The stability of the structure is determined by theπ-πinteraction between the aromatic rings in the nonbonding energy EN.Key Stretching Energy The size of EB determines how tight the structure is.The research results provide a method and reference for the study of the molecular structure of medium and high coal ranks.
文摘Electroless deposition has been used to deposit Ni-P films on glass slides using the reducing agent sodium hypophosphite. This has been done with a purpose to use Ni-P films as back contact for silicon carbide radiation detectors. By keeping deposition time, temperature, pH and concentration of the precursor solution constant, the film deposition has been done. XPS studies were done to analyze the composition and stoichiometry of Ni-P thin films.
文摘Using viscose fiber (VF) as starting material and common steam as activating agent, formation of oxygen structures in activated carbon fiber is investigated. In the preparation of samples, VF was first heated at temperatures between 450℃ and 900℃ in N_2 artmosphere. Then, in a successive activation stage, the product carbonized at 600℃ was activated in steam at 450-900℃ for 30 min, and at 600℃ for 5-30 min. The other carbonization products were activated at 600 and 900℃ for 30 min respectively. The products activated at 900℃ were then activated at 450℃ for 30 min again. The starting materiah carbonized products and all activation products were examined by FT-IR spectroscopy and some products were examined by X-ray photoelectron spectroscope (XPS). And the yields of the carbonized and activated products were calculated. By analysing these spectra, the amount of oxygen-containing functional groups of the activated products attained under various activation time, various activation temperature and various previous carbonization temperature was determined.
文摘As a thin film solar cell absorber material, antimony selenide (Sb<sub>2</sub>Se<sub>3</sub>) has become a potential candidate recently because of its unique optical and electrical properties and easy fabrication method. X-ray photoelectron spectroscopy (XPS) was used to determine the stoichiometry and composition of electroless Sb<sub>2</sub>Se<sub>3</sub> thin films using depth profile studies. The surface layers were analyzed nearly stoichiometric. But the abundant amount of antimony makes the inner layer electrically more conductive.
基金Project supported by the Shandong Provincial Natural Science Foundation,China(Grant Nos.ZR2022MA025 and ZR2020MA077).
文摘The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS spectra of these adsorption configurations have been calculated by using the density functional theory(DFT)method and fullcore hole(FCH)approximation to investigate the relationship between the adsorption configurations and the spectra.The result shows that the XPS and NEXAFS spectra are structurally dependent on the configurations of pyrrole absorbed on the Si(100)surface.Compared with the XPS,the NEXAFS spectra are relatively sensitive to the adsorption configurations and can accurately identify them.The NEXAFS decomposition spectra produced by non-equivalent carbon atoms have also been calculated and show that the spectral features vary with the diverse types of carbon atoms and their structural environments.
文摘Sb<sub>2</sub>S<sub>3</sub> has gained tremendous research recently for thin film solar cell absorber material because of their easy synthesis, unique electrical and optical properties. The stoichiometry and composition of electroless Sb<sub>2</sub>S<sub>3</sub> thin films were analyzed using XPS depth profile studies. The surface layers were found nearly stoichiometric. On the other hand, the inner layer was rich in antimony composition making it more conductive electrically.
文摘Spray pyrolysis method was used to deposit Lutetium Oxide (Lu<sub>2</sub>O<sub>3</sub>) thin films using lutetium (III) chloride as source material and water as oxidizer. Annealing was carried out in argon atmosphere at 450°C for 60 minutes of the films. To investigate the composition and stoichiometry of sprayed as-deposited and annealed Lu<sub>2</sub>O<sub>3</sub> thin films, depth profile studies using X-ray photoelectron spectroscopy (XPS) was done. Nearly stoichiometric was observed for both annealed and as-deposited films in inner and surface layers.
文摘Ga<sub>2</sub>O<sub>3</sub> thin films were fabricated by spray pyrolysis method using gallium acetylacetonate as source material and water as oxidizer. The films were annealed at 450°C for 60 minutes in argon atmosphere. X-ray photoelectron spectroscopy (XPS) depth profile studies were carried out to analyze the stoichiometry and composition of sprayed as-deposited and annealed Ga<sub>2</sub>O<sub>3</sub> thin films. Surface layers and the inner layers of as-deposited and annealed films were found nearly stoichiometric.
基金Supported by the National Natural Science Foundation of China(Nos.20471022, 40673051 and 20121103)the Program for New Century Excellent Talents(NCET) in Universities of China
文摘High-quality needle-like CuTaS3 single crystals have been synthesized through a chemical vapor transport（CVT） process.Crystallographic data show the special double chains of edge-sharing TaS6 octahedra.The detailed XPS analysis of CuTaS3 was undertaken and the valence states can be described by Cu＋Ta5＋3S2-.In addition,CuTaS3 crystals were characterized with Raman spectroscopy.
基金the National Natural Science Foundation of China(No.11874242,No.11804196,No.11804197)support provided by China Scholarship Council(CSC)for Yong Ma to Royal Institute of Technology(KTH)is acknowledgedsupport of the Taishan Scholar Project of Shandong Province。
文摘The geometric and electronic structures of several possible adsorption configurations of the pyrazine(C4H4N2)molecule covalently attached to Si(100)surface,which is of vital importance in fabricating functional nano-devices,have been investigated using X-ray spectroscopies.The Carbon K-shell(1s)X-ray photoelectron spectroscopy(XPS)and near-edge X-ray absorption fine structure(NEXAFS)spectroscopy of predicted adsorbed structures have been simulated by density functional theory with cluster model calculations.Both XPS and NEXAFS spectra demonstrate the structural dependence on different adsorption configurations.In contrast to the XPS spectra,it is found that the NEXAFS spectra exhibiting conspicuous dependence on the structures of all the studied pyrazine/Si(100)systems can be well utilized for structural identification.In addition,according to the classification of carbon atoms,the spectral components of carbon atoms in different chemical environments have been investigated in the NEXAFS spectra as well.
文摘Molybdenum oxide films were fabricated successfully by spin coating from Li＋- doped peroxo- polymolybdate solution via sol- gel technique.Their electrochemical and electrochromic properties were investigated by cyclic voltammetry and in- situ UV transmittance measurements.The results showed that the films possessed excellent electrochemical stability and reversibility.The electrochromic mechanism of the MoO3 was discussed by using results obtained from X- ray photoelectron spectroscopy (XPS).The results showed that the most part of the Mo6＋ in MoO3 film was reduced to Mo5＋ and Mo4＋ ions during the Li＋ intercalation process,Mo4＋ was oxidized to Mo5＋ and part of Mo5＋ was oxidized to Mo6＋ again during the Li＋ deintercalation process.So it was considered that Mo4＋ ions existed in the colored MoO3 films.
