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Molecular structure characterization of middle-high rank coal via^(13)C NMR,XPS,and FTIR spectroscopy
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作者 Xiao-ming Ni Jing-shuo Zhang +1 位作者 Xiao-kai Xu Bao-yu Wang 《China Geology》 CAS CSCD 2024年第4期702-713,共12页
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
关键词 Molecular structure model Carbon-13 nuclear magnetic resonance(NMR) x-ray photoelectron spectroscopy(xps) Fourier transform infrared spectroscopy(FTIR) COAL
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Theoretical characterization of the adsorption configuration of pyrrole on Si(100)surface by x-ray spectroscopy
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作者 李好情 明静 +3 位作者 姜志昂 李海波 马勇 宋秀能 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期430-435,共6页
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
关键词 PYRROLE silicon surface x-ray photoelectron spectroscopy(xps) near-edge x-ray absorption fine structure(NEXAFS)
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XPS Studies on Electroless As-Deposited and Annealed Ni-P Films
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作者 Towhid Adnan Chowdhury 《Engineering(科研)》 2024年第5期123-133,共11页
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
关键词 NI-P x-ray photoelectron spectroscopy ANNEALING Electroless Deposition Binding Energy Reducing Agent
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XPS表面分析技术在生物医用金属材料研究中的应用 被引量:3
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作者 刘丽婷 王岩 +4 位作者 李怡雪 王秋凤 王亚丽 史学芳 刘峰 《陕西师范大学学报(自然科学版)》 CAS CSCD 北大核心 2023年第3期29-42,共14页
利用先进表征技术对生物医用金属材料的表面性质进行分析,并揭示其表界面与机体的相互作用机理至关重要。X射线光电子能谱(X-ray photoelectron spectroscopy,XPS)作为一种强有力的表面分析技术,可以高灵敏度、高分辨率地对材料表面元... 利用先进表征技术对生物医用金属材料的表面性质进行分析,并揭示其表界面与机体的相互作用机理至关重要。X射线光电子能谱(X-ray photoelectron spectroscopy,XPS)作为一种强有力的表面分析技术,可以高灵敏度、高分辨率地对材料表面元素种类和价态进行定性、半定量分析,并能结合离子束溅射、角分辨深度剖析获得材料表面层的纵深分布信息,已被广泛应用于生物医用金属材料研究。基于此,首先介绍了XPS的原理和特点;其次,根据生物医用金属材料的分类和研究领域,重点探讨了XPS表面分析技术在医用不锈钢、医用钴基合金、医用钛及其合金、医用镁合金的设计制造、表面改性及表界面表征等方面的应用;再次,通过总结上述工作的优势与不足,进一步阐明了XPS表面分析技术在小面积、化学成像、角分辨、原位测试、价带谱、同步辐射激发源等多种功能方面的应用潜力;最后,对XPS技术助力新型生物医用金属材料的开发和应用提出了展望和建议。 展开更多
关键词 X射线光电子能谱(xps) 生物医用金属材料 表面分析技术 元素价态分析
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Photoelectric characteristics of silicon P–N junction with nanopillar texture:Analysis of X-ray photoelectron spectroscopy 被引量:1
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作者 刘静 王嘉鸥 +3 位作者 伊福廷 吴蕊 张念 奎热西 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第9期294-297,共4页
Silicon nanopillars are fabricated by inductively coupled plasma (ICP) dry etching with the cesium chloride (CsCl) islands as masks originally from self-assembly. Wafers with nanopillar texture or planar surface a... Silicon nanopillars are fabricated by inductively coupled plasma (ICP) dry etching with the cesium chloride (CsCl) islands as masks originally from self-assembly. Wafers with nanopillar texture or planar surface are subjected to phosphorus (P) diffusion by liquid dopant source (POCl3) at 870 ℃ to form P-N junctions with a depth of 300 nm. The X-ray photoelectron spectroscopy (XPS) is used to measure the Si 2p core levels of P-N junction wafer with nanopillar texture and planar surface. With a visible light excitation, the P-N junction produces a new electric potential for photoelectric characteristic, which causes the Si 2p core level to have a energy shift compared with the spectrum without the visible light. The energy shift of the Si 2p core level is -0.27 eV for the planar P-N junction and -0.18 eV for the nanopillar one. The difference in Si 2p energy shift is due to more space lattice defects and chemical bond breaks for nanopillar compared with the planar one. 展开更多
关键词 x-ray photoelectron spectroscopy (xps photoelectric characteristic P-N junction silicon nanopillar
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Understanding fundamentals of electrochemical reactions with tender X-rays:A new lab-based operando X-ray photoelectron spectroscopy method for probing liquid/solid and gas/solid interfaces across a variety of electrochemical systems 被引量:1
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作者 Chiyan Liu Qiao Dong +5 位作者 Yong Han Yijing Zang Hui Zhang Xiaoming Xie Yi Yu Zhi Liu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2022年第11期2858-2870,共13页
Electrocatalysis is key to improving energy efficiency,reducing carbon emissions,and providing a sustainable way of meeting global energy needs.Therefore,elucidating electrochemical reaction mechanisms at the electrol... Electrocatalysis is key to improving energy efficiency,reducing carbon emissions,and providing a sustainable way of meeting global energy needs.Therefore,elucidating electrochemical reaction mechanisms at the electrolyte/electrode interfaces is essential for developing advanced renewable energy technologies.However,the direct probing of real-time interfacial changes,i.e.,the surface intermediates,chemical environment,and electronic structure,under operating conditions is challenging and necessitates the use of in situ methods.Herein,we present a new lab-based instrument commissioned to perform in situ chemical analysis at liquid/solid interfaces using ambient pressure X-ray photoelectron spectroscopy(APXPS).This setup takes advantage of a chromium source of tender X-rays and is designed to study liquid/solid interfaces by the“dip and pull”method.Each of the main components was carefully described,and the results of performance tests are presented.Using a three-electrode setup,the system can probe the intermediate species and potential shifts across the liquid electrolyte/solid electrode interface.In addition,we demonstrate how this system allows the study of interfacial changes at gas/solid interfaces using a case study:a sodium–oxygen model battery.However,the use of APXPS in electrochemical studies is still in the early stages,so we summarize the current challenges and some developmental frontiers.Despite the challenges,we expect that joint efforts to improve instruments and the electrochemical setup will enable us to obtain a better understanding of the composition–reactivity relationship at electrochemical interfaces under realistic reaction conditions. 展开更多
关键词 Tender x-rays Ambient pressure x-ray photoelectron spectroscopy ELECTROCATALYSIS Liquid/solid interface Gas/solid interface
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X-ray absorption near the edge structure and x-ray photoelectron spectroscopy studies on pyrite prepared by thermally sulfurizing iron films 被引量:1
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作者 张辉 刘应书 +3 位作者 王宝义 魏龙 奎热西 钱海杰 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第7期2734-2738,共5页
This paper reports how pyrite films were prepared by thermal sulfurization of magnetron sputtered iron films and characterized by X-ray absorption near edge structure spectra and X-ray photoelectron spectroscopy on a ... This paper reports how pyrite films were prepared by thermal sulfurization of magnetron sputtered iron films and characterized by X-ray absorption near edge structure spectra and X-ray photoelectron spectroscopy on a 4B9B beam line at the Beijing Synchrotron Radiation Facility. The band gap of the pyrite agrees well with the optical band gap obtained by a spectrophotometer. The octahedral symmetry of pyrite leads to the splitting of the d orbit into t2g and eg levels. The high spin and low spin states were analysed through the difference of electron exchange interaction and the orbital crystal field. Only when the crystal field splitting is higher than 1.5 eV, the two weak peaks above the white lines can appear, and this was approved by experiments in the present work. 展开更多
关键词 x-ray absorption near the edge structure spectra x-ray photoelectron spectroscopy iron pyrite films solar cells
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X-ray Photoelectron Spectroscopy Studies of Ti_(x)Al_(1-x)N Thin Films Prepared by RF Reactive Magnetron Sputtering 被引量:1
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作者 Rui XIONG Jing SHI 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2005年第4期541-544,共4页
TixAl1-xN films have been prepared by RF reactive magnetron sputtering. X-ray diffraction results showed that TixAl1-xN thin films in this study were hexagonal wurtzite structure with the Ti content up to 0.18. X-ray ... TixAl1-xN films have been prepared by RF reactive magnetron sputtering. X-ray diffraction results showed that TixAl1-xN thin films in this study were hexagonal wurtzite structure with the Ti content up to 0.18. X-ray photoelectron spectrocopy studies provided that the Nls core-electron spectrum of TixAl1-xN thin film brodend with increasing Ti content, and the difference of the chemical shifts for Ti2p3/2 line between TiN and TixAl1-xN th77pj in film was 0.7 eV. 展开更多
关键词 TixAl1-xN films x-ray photoelectron spectroscopy Core-electron spectrum
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XPS Study of Electroless Deposited Sb2Se3 Thin Films for Solar Cell Absorber Material
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作者 Towhid Adnan Chowdhury 《Energy and Power Engineering》 2023年第11期363-371,共9页
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
关键词 Sb2Se3 ELECTROLESS Depth Profiling Thin Film x-ray photoelectron spectroscopy
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Landscape of s-triazine molecule on Si(100) by a theoretical x-ray photoelectron spectroscopy and x-ray absorption near-edge structure spectra study
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作者 Jing Hu Xiu-Neng Song +3 位作者 Sheng-Yu Wang Juan Lin Jun-Rong Zhang Yong Ma 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第11期437-444,共8页
The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectrosc... The chemisorbed structure for an aromatic molecule on a silicon surface plays an important part in promoting the development of organic semiconductor material science. The carbon K-shell x-ray photoelectron spectroscopy(XPS) and the x-ray absorption near-edge structure(XANES) spectra of the interfacial structure of an s-triazine molecule adsorbed on Si(100) surface have been performed by the first principles, and the landscape of the s-triazine molecule on Si(100) surface has been described in detail. Both the XPS and XANES spectra have shown their dependence on different structures for the pristine s-triazine molecule and its several possible adsorbed configurations. By comparison with the XPS spectra, the XANES spectra display the strongest structural dependency of all of the studied systems and thus could be well applied to identify the chemisorbed s-triazine derivatives. The exploration of spectral components originated from non-equivalent carbons in disparate local environments has also been implemented for both the XPS and XANES spectra of s-triazine adsorbed configurations. 展开更多
关键词 S-TRIAZINE silicon surface x-ray photoelectron spectroscopy (xps x-ray absorption near-edge structure (XANES)
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Depth Profile Study of Electroless Deposited Sb2S3 Thin Films Using XPS for Photovoltaic Applications
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作者 Towhid Adnan Chowdhury 《Materials Sciences and Applications》 2023年第7期397-406,共10页
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
关键词 Sb2S3 Depth Profiling x-ray photoelectron spectroscopy Thin Film ELECTROLESS
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Investigation of Sprayed Lu2O3 Thin Films Using XPS
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作者 Towhid Adnan Chowdhury 《Advances in Materials Physics and Chemistry》 2023年第11期197-205,共9页
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
关键词 Lu2O3 Depth Profiling x-ray photoelectron spectroscopy Thin Films
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XPS Depth Profile Study of Sprayed Ga2O3 Thin Films
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作者 Towhid Adnan Chowdhury 《Engineering(科研)》 2023年第8期459-466,共8页
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
关键词 Ga2O3 Thin Films x-ray photoelectron spectroscopy Depth Profiling
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Energy band alignment at Cu2O/ZnO heterojunctions characterized by in situ x-ray photoelectron spectroscopy
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作者 Yan Zhao Hong-Bu Yin +2 位作者 Ya-Jun Fu Xue-Min Wang Wei-Dong Wu 《Chinese Physics B》 SCIE EI CAS CSCD 2019年第8期311-315,共5页
With the increasing interest in Cu2O-based devices for photovoltaic applications,the energy band alignment at the Cu2O/ZnO heterojunction has received more and more attention.In this work,a high-quality Cu2O/ZnO heter... With the increasing interest in Cu2O-based devices for photovoltaic applications,the energy band alignment at the Cu2O/ZnO heterojunction has received more and more attention.In this work,a high-quality Cu2O/ZnO heterojunction is fabricated on a c-Al2 O3 substrate by laser-molecular beam epitaxy,and the energy band alignment is determined by x-ray photoelectron spectroscopy.The valence band of ZnO is found to be 1.97 eV below that of Cu2O.A type-II band alignment exists at the Cu2O/ZnO heterojunction with a resulting conduction band offset of 0.77 eV,which is especially favorable for enhancing the efficiency of Cu2O/ZnO solar cells. 展开更多
关键词 CU2O ZNO x-ray photoelectron spectroscopy laser-molecular beam EPITAXY
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Study on NiO/Fe interface with X-ray photoelectron spectroscopy
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作者 Chun Feng Jing-yan Zhang +1 位作者 Jiao Teng Fu-ming Wang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2010年第6期777-781,共5页
Different monolayers (ML) of Fe atoms were deposited on NiO (001) substrates or NiO underlayers using molecular beam epitaxy (MBE), pulse laser deposition (PLD), and magnetron sputtering (MS). The magnetic p... Different monolayers (ML) of Fe atoms were deposited on NiO (001) substrates or NiO underlayers using molecular beam epitaxy (MBE), pulse laser deposition (PLD), and magnetron sputtering (MS). The magnetic properties and microstructure of the films were studied. The apparent magnetic dead layer (MDL) is found to exist at the NiO/Fe interfaces of the MBE sample (about 2 ML MDL), the PLD sample (about 3 ML MDL), and the MS sample (about 4 ML MDL). X-ray photoelectron spectroscopy indicates the presence of ionic Fe (Fe2+ or Fe3+) and metallic Ni at the NiO/Fe interfaces, which may be due to the chemical reactions between Fe and NiO layers. This also leads to the formation of MDL. The thickness of the MDL and the reaction products are related with the deposition energy of the atoms on the substrates. The interfacial reactions are effectively suppressed by inserting a thin Pt layer at the NiO/Fe interface. 展开更多
关键词 interracial reaction magnetic films x-ray photoelectron spectroscopy magnetic properties MICROSTRUCTURE
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Band alignment of p-type oxide/ε-Ga2O3 heterojunctions investigated by x-ray photoelectron spectroscopy
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作者 Chang Rao Zeyuan Fei +6 位作者 Weiqu Chen Zimin Chen Xing Lu Gang Wang Xinzhong Wang Jun Liang Yanli Pei 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第9期476-481,共6页
Theε-Ga2O3 p-n heterojunctions(HJ)have been demonstrated using typical p-type oxide semiconductors(NiO or SnO).Theε-Ga2O3 thin film was heteroepitaxial grown by metal organic chemical vapor deposition(MOCVD)with thr... Theε-Ga2O3 p-n heterojunctions(HJ)have been demonstrated using typical p-type oxide semiconductors(NiO or SnO).Theε-Ga2O3 thin film was heteroepitaxial grown by metal organic chemical vapor deposition(MOCVD)with three-step growth method.The polycrystalline SnO and NiO thin films were deposited on theε-Ga2O3 thin film by electron-beam evaporation and thermal oxidation,respectively.The valence band offsets(VBO)were determined by x-ray photoelectron spectroscopy(XPS)to be 2.17 eV at SnO/ε-Ga2O3 and 1.7 eV at NiO/ε-Ga2O3.Considering the bandgaps determined by ultraviolet-visible spectroscopy,the conduction band offsets(CBO)of 0.11 eV at SnO/ε-Ga2O3 and 0.44 eV at NiO/ε-Ga2O3 were obtained.The type-Ⅱband diagrams have been drawn for both p-n HJs.The results are useful to understand the electronic structures at theε-Ga2O3 p-n HJ interface,and design optoelectronic devices based onε-Ga2O3 with novel functionality and improved performance. 展开更多
关键词 ε-Ga2O3 x-ray photoelectron spectroscopy(xps) valence band offset band alignment
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Pressure-dependent band-bending in ZnO:A near-ambient-pressure X-ray photoelectron spectroscopy study
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作者 Zhirui Ma Xu Lian +8 位作者 Kaidi Yuan Shuo Sun Chengding Gu Jia Lin Zhang Jing Lyu Jian-Qiang Zhong Lei Liu Hexing Li Wei Chen 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第9期25-31,共7页
ZnO-based catalysts have been intensively studied because of their extraordinary performance in lower olefin synthesis,methanol synthesis and water-gas shift reactions.However,how ZnO catalyzes these reactions are sti... ZnO-based catalysts have been intensively studied because of their extraordinary performance in lower olefin synthesis,methanol synthesis and water-gas shift reactions.However,how ZnO catalyzes these reactions are still not well understood.Herein,we investigate the activations of CO_(2),O_(2)and CO on single crystalline ZnO polar surfaces at room temperature,through in-situ near-ambient-pressure X-ray photoelectron spectroscopy(NAP-XPS).It is revealed that O_(2)and CO_(2)can undergo chemisorption on ZnO polar surfaces at elevated pressures.On the ZnO(0001)surface,molecular CO_(2)(O_(2))can chemically interact with the top layer Zn atoms,leading to the formation of CO_(2)^(δ-)(O_(2)^(δ-))or partially dissociative atomic oxygen(O-)and hence the electron depletion layer in ZnO.Therefore,an apparent upward band-bending in ZnO(0001)is observed under the CO_(2)and O_(2)exposure.On the ZnO(0001)surface,the molecular chemisorbed CO_(2)(O_(2))mainly bond to the surface oxygen vacancies,which also results in an upward bandbending in ZnO(0001).In contrast,no band-bending is observed for both ZnO polar surfaces upon CO exposure.The electron-acceptor nature of the surface bounded molecules/atoms is responsible for the reversible binding energy shift of Zn 2 p_(3/2)and O 1 s in ZnO.Our findings can shed light on the fundamental understandings of CO_(2)and O_(2)activation on ZnO surfaces,especially the role of ZnO in heterogeneous catalytic reactions. 展开更多
关键词 Near-ambient-pressure x-ray photoelectron spectroscopy Zinc oxide Carbon dioxide and oxygen activation Band-bending
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Geometric and Electronic Structures of Pyrazine Molecule Chemisorbed on Si(100) Surface by XPS and NEXAFS Spectroscopy
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作者 Xiu-neng Song Huan-yu Ji +3 位作者 Juan Lin Ruo-yu Wang Yong Ma Chuan-kui Wang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2020年第4期417-426,I0001,共11页
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
关键词 Chemisorption/physisorption Adsorbates on surfaces x-ray absorption spectroscopy Photoemission and photoelectron spectra
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Structure Analysis of Needle-like Copper Tantalum Trisulfide Crystals by XPS and Raman Spectroscopy
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作者 CHENG Dan JIN Hua +5 位作者 LI Ben-xian WANG Xiao-feng CHU Qing-xin LU Yang LIU Xiao-yang ZHAO Xu-dong 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2012年第2期171-175,共5页
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
关键词 Cu-Ta-S compound Ta2S10 dimeric chain x-ray photoelectron spectroscopy Raman spectrum
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MoO_3电致变色薄膜的XPS研究 被引量:10
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作者 章俞之 快素兰 +2 位作者 黄银松 王忠春 胡行方 《物理化学学报》 SCIE CAS CSCD 北大核心 2001年第1期79-82,共4页
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
关键词 电致变色 X射线光电子能谱 氧化钼薄膜 电致变色材料 制备
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