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Ferric ion-triggered surface oxidation of galena for efficient chalcopyrite-galena separation
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作者 Qiancheng Zhang Limin Zhang +3 位作者 Feng Jiang Honghu Tang Li Wang Wei Sun 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第2期261-267,共7页
The efficient separation of chalcopyrite(CuFeS2)and galena(PbS)is essential for optimal resource utilization.However,find-ing a selective depressant that is environmentally friendly and cost effective remains a challe... The efficient separation of chalcopyrite(CuFeS2)and galena(PbS)is essential for optimal resource utilization.However,find-ing a selective depressant that is environmentally friendly and cost effective remains a challenge.Through various techniques,such as mi-croflotation tests,Fourier transform infrared spectroscopy,scanning electron microscopy(SEM)observation,X-ray photoelectron spec-troscopy(XPS),and Raman spectroscopy measurements,this study explored the use of ferric ions(Fe^(3+))as a selective depressant for ga-lena.The results of flotation tests revealed the impressive selective inhibition capabilities of Fe^(3+)when used alone.Surface analysis showed that Fe^(3+)significantly reduced the adsorption of isopropyl ethyl thionocarbamate(IPETC)on the galena surface while having a minimal impact on chalcopyrite.Further analysis using SEM,XPS,and Raman spectra revealed that Fe^(3+)can oxidize lead sulfide to form compact lead sulfate nanoparticles on the galena surface,effectively depressing IPETC adsorption and increasing surface hydrophilicity.These findings provide a promising solution for the efficient and environmentally responsible separation of chalcopyrite and galena. 展开更多
关键词 GALENA CHALCOPYRITE ferric ions flotation separation surface oxidation
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A review of ^(17)O isotopic labeling techniques for solid-state NMR structural studies of metal oxides in lithium-ion batteries
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作者 Xiaoli Xia Lei Zhu +2 位作者 Weiping Tang Luming Peng Junchao Chen 《Magnetic Resonance Letters》 2024年第2期46-53,共8页
Recent advances in utilizing ^(17)O isotopic labeling methods for solid-state nuclear magnetic resonance(NMR)investigations of metal oxides for lithium-ion batteries have yielded extensive insights into their structur... Recent advances in utilizing ^(17)O isotopic labeling methods for solid-state nuclear magnetic resonance(NMR)investigations of metal oxides for lithium-ion batteries have yielded extensive insights into their structural and dynamic details.Herein,we commence with a brief introduction to recent research on lithium-ion battery oxide materials studied using ^(17)O solid-state NMR spectroscopy.Then we delve into a review of ^(17)O isotopic labeling methods for tagging oxygen sites in both the bulk and surfaces of metal oxides.At last,the unresolved problems and the future research directions for advancing the ^(17)O labeling technique are discussed. 展开更多
关键词 ^(17)O solid-state NMR ^(17)O isotopic labeling methods Bulk and surfaces of metal oxides DFT calculation
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Water-oxygen interaction on marcasite(101)surface:DFT calculation 被引量:4
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作者 Junjie Zhang Yuqiong Li Jianhua Chen 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2022年第1期191-199,共9页
Marcasite(FeS2)is widespread in nature,its oxidation plays a vital role in acid mine drainage,mineral resource recovery,and photoelectric material applications.In this paper,the oxidation mechanism of marcasite has be... Marcasite(FeS2)is widespread in nature,its oxidation plays a vital role in acid mine drainage,mineral resource recovery,and photoelectric material applications.In this paper,the oxidation mechanism of marcasite has been studied for the first time using density functional theory(DFT).It is found that,unlike the oxidation of pyrite,the oxidation of marcasite merely occurs at surface S atoms.Under the coexistence of water and oxygen,S atoms around surface Fe atoms are replaced by O atoms.The surface S sites are initially oxidized to form S==O bonds,and continue to adsorb oxygen to gradually generate SO3^2-,SO4^2-species,and eventually FeSO4.In this process,H2O molecules participate in neither oxidation nor dissociation,and they are adsorbed on surface Fe sites in the form of molecules,i.e.,all O atoms in SO4^2-derive from oxygen rather than water molecules. 展开更多
关键词 MARCASITE surface oxidation ADSORPTION Density functional theory
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Effects of surface oxide species and contents on SiC slurry viscosity 被引量:3
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作者 NING Shufan LI Hongyan +2 位作者 CHEN Wei LIU Bin CHEN Shoutian 《Rare Metals》 SCIE EI CAS CSCD 2005年第3期240-245,共6页
The disadvantageous effects of colloidal SiO2 layer and micro-content of metal oxide adsorbed on SiC powder surface on SiC slurry stable dispersion were studied, and the novel method to avoid this disadvantage was pro... The disadvantageous effects of colloidal SiO2 layer and micro-content of metal oxide adsorbed on SiC powder surface on SiC slurry stable dispersion were studied, and the novel method to avoid this disadvantage was proposed. By acidwashing, on the one hand, because the maximum Zeta potential of SiC powder increases to 72.49 mV with the decreasing content of metal oxide adsorbed on the SiC powder surface, the repulsion force between SiC powders that dispersed in slurry is enhanced, thus the SiC powder can be fully dispersed in slurry. On the other hand, after HF acidwashing, with the OH^- group adsorbed on SiC powder surface destroyed and replaced by the Fion, the hydrogen bond adsorbed on the OHgroup is also destroyed. Therefore, the surface property of the SiC powder is changed from hydrophilic to hydrophobic; H2O that adsorbed on SiC powder surface is released and can flow freely, and it actually increases the content of the effective flow phase in the slurry. These changes of SiC powder surface property can be proved by XPS and FTIR analysis. Finally, the viscosity of SiC slurry is decreased greatly, and when the viscosity of the slurry is lower than 1 Pa·s, the solid volume fraction of SiC powder in the slurry is maximized to 61.5 vol.%. 展开更多
关键词 SiC powder water base slurry acidwashing surface oxide Zeta potential HYDROPHOBIC slurry viscosity
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Surface oxidation of vanadium dioxide films prepared by radio frequency magnetron sputtering 被引量:2
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作者 王学进 梁春军 +6 位作者 管康萍 李德华 聂玉昕 朱世秋 黄峰 张葳葳 成正维 《Chinese Physics B》 SCIE EI CAS CSCD 2008年第9期3512-3515,共4页
This paper reports that the thermochromic vanadium dioxide films were deposited on various transparent substrates by radio frequency magnetron sputtering, and then aged under circumstance for years. Samples were chara... This paper reports that the thermochromic vanadium dioxide films were deposited on various transparent substrates by radio frequency magnetron sputtering, and then aged under circumstance for years. Samples were characterized with several different techniques such as x-ray diffraction, x-ray photoelectron spectroscopy, and Raman, when they were fresh from sputter chamber and aged after years, respectively, in order to determine their structure and composition. It finds that a small amount of sodium occurred on the surface of vanadium dioxide films, which was probably due to sodium ion diffusion from soda-lime glass when sputtering was performed at high substrate temperature. It also finds that aging for years significantly affected the nonstoichiometry of vanadium dioxide films, thus inducing much change in Raman modes. 展开更多
关键词 surface oxidation vanadium dioxide FILMS magnetron sputtering
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Compounded Surface Modification of ZK60 Mg Alloy by High Current Pulsed Electron Beam+Micro-plasma Oxidation 被引量:3
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作者 高波 郝仪 +3 位作者 涂赣峰 石为喜 于福晓 李世伟 《Plasma Science and Technology》 SCIE EI CAS CSCD 2010年第1期67-70,共4页
In this study, compounded surface modification technology-high current pulsed electron beam (HCPEB) + micro-plasma oxidation (MPO) was applied to treat ZK60 Mg alloys. The characteristics of the microstructure of... In this study, compounded surface modification technology-high current pulsed electron beam (HCPEB) + micro-plasma oxidation (MPO) was applied to treat ZK60 Mg alloys. The characteristics of the microstructure of ZK60 Mg alloy after single MPO and HCPEB+MPO compounded treatment were investigated by SEM. The results showed that the density of the ceramic layer of HCPEB+MPO-treated ZK60 Mg alloy was improved and defects were reduced compared to that under MPO treatment alone. Surface modified layer of ZK60 Mg alloys treated by HCPEB+MPO was divided into three zones, namely the top loose ceramic zone, middle compact zone and inside HCPEB-induced melted zone. Corrosion resistance of ZK60 Mg alloy before and after the compounded surface modification was measured in a solution of 3.5% NaCl by potentiodynamic polarization curves. It was found that the corrosion current density of ZK60 Mg alloys could be reduced by about three orders of magnitude, from 311μA/cm^2 of the original sample to 0.2μA/cm^2 of the HCPEB+MPO-treated sample. This indicates the great application potential of the HCPEB+MPO compounded surface modification technology in improving the corrosion resistance of ZK60 Mg alloys in the future. 展开更多
关键词 ZK60 Mg alloy high current pulsed electron beam micro-plasma oxidation compounded surface modification corrosion resistance
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Effect of deep oxidation of chalcopyrite on surface properties and flotation performance 被引量:1
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作者 Qingyun Luo Qing Shi +2 位作者 Dezhi Liu Binbin Li Saizhen Jin 《International Journal of Mining Science and Technology》 SCIE EI CAS CSCD 2022年第4期907-914,共8页
In this study, chalcopyrite was oxidized in hydrogen peroxide(H_(2)O_(2)) solutions of different concentrations to simulate different degrees of oxidation in real ores, and the effects of H_(2)O_(2) treatment on chalc... In this study, chalcopyrite was oxidized in hydrogen peroxide(H_(2)O_(2)) solutions of different concentrations to simulate different degrees of oxidation in real ores, and the effects of H_(2)O_(2) treatment on chalcopyrite surface properties and flotation performance were investigated by surface analysis techniques and floatation experiments, which implied the reason for the poor grade and recovery of oxidized chalcopyrite concentrate in the production process of the ore. Flotation results showed that when the concentration of H_(2)O_(2) increased from 0%(by weight) to 5%, the flotation recovery of chalcopyrite decreased sharply.However, with increasing H_(2)O_(2) concentration from 5% to 30%, chalcopyrite recovery improved relatively to different degrees with different collector concentrations. Analyses of X-ray photoelectron spectroscopy(XPS) and inductively coupled plasma-atomic optical emission spectrophotometry(ICP-OES) results indicated that the pretreatment with H_(2)O_(2) caused that hydrophilic substance formed on chalcopyrite surface with the dissolution of copper ions, and the dissolution amount of copper increased with the increase of H_(2)O_(2) concentration. UV–visible spectrophotometer and Fourier transform infrared spectrum(FTIR) studies indicated that the pretreatment of chalcopyrite with H_(2)O_(2) had little effect on the adsorption amount of potassium butyl xanthate(PBX) on chalcopyrite surface. However, due to the dissolution of copper ions, PBX interacted with chalcopyrite mainly as buthyl dixanthogen(BX)_(2). 展开更多
关键词 CHALCOPYRITE surface oxidation FLOTATION surface analysis
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XPS STUDIES OF OXIDATION BEHAVIOR OF NICKEL AND THERMAL STABILITY OF SURFACE OXIDES 被引量:1
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作者 ZHAO Liangzhong PAN Chenghuang 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1989年第8期133-137,共5页
Surface oxidation of polycrystalline nickel foil in air and pure water at different temperatures and the thermal stability of the surface oxides have been investigated by means of XPS.In ad- dition to NiO,Ni_2O_3 is f... Surface oxidation of polycrystalline nickel foil in air and pure water at different temperatures and the thermal stability of the surface oxides have been investigated by means of XPS.In ad- dition to NiO,Ni_2O_3 is formed especially after long periods of air exposure.Nickel surfaces are much less reactive to pure water than to air.The thermal stability of the surface oxides is related to oxidative temperature.The surface species of oxides formed by air exposure at temperatures below 120℃ can be reduced into nickel metal after heating the sample in vacuum at 300℃ for only 10 minutes (in the case of room temperature) to 1 h (in the case of 120℃). This reduction is caused by reaction with surface carbon contaminants.However,the surface species of nickel oxides formed by air exposure with heating at temperatures above 200℃ can not be reduced into metal after heating the sample in vacuum at 300℃ for 1h. 展开更多
关键词 XPS NICKEL surface oxide thermal stability
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Surface modifications of biometallic commercially pure Ti and Ti–13Nb–13Zr alloy by picosecond Nd:YAG laser 被引量:1
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作者 Slađana Laketić Marko Rakin +3 位作者 MilošMomčilović Jovan Ciganović Đorđe Veljović Ivana Cvijović-Alagić 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2021年第2期285-295,共11页
The effects of picosecond Nd:YAG laser irradiation on chemical and morphological surface characteristics of the commercially pure titanium and Ti–13Nb–13Zr alloy in air and argon atmospheres were studied under diffe... The effects of picosecond Nd:YAG laser irradiation on chemical and morphological surface characteristics of the commercially pure titanium and Ti–13Nb–13Zr alloy in air and argon atmospheres were studied under different laser output energy values.During the interaction of laser irradiation with the investigated materials,a part of the energy was absorbed on the target surface,influencing surface modifications.Laser beam interaction with the target surface resulted in various morphological alterations,resulting in crater formation and the presence of microcracks and hydrodynamic structures.Moreover,different chemical changes were induced on the target materials’surfaces,resulting in the titanium oxide formation in the irradiation-affected area and consequently increasing the irradiation energy absorption.Given the high energy absorption at the site of interaction,the dimensions of the surface damaged area increased.Consequently,surface roughness increased.The appearance of surface oxides also led to the increased material hardness in the surface-modified area.Observed chemical and morphological changes were pronounced after laser irradiation of the Ti–13Nb–13Zr alloy surface. 展开更多
关键词 commercially pure titanium Ti-13Nb-13Zr alloy surface modification Nd:YAG laser laser-induced damage hard oxidized surface
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EFFECT OF COAL PYRITE SURFACE OXIDA-TION ON COAL DESULFURATION BY FLOTA-TION AND METHODS OF PYRITE DEPRESSION
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作者 施秀屏 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 1997年第Z1期37-41,共5页
This paper discusses the hydrophobicity of the pyrite surface under different extents of oxidation. Experimental results demonstrate that pyrite is floatable only under initial oxidation of its surface, while the fres... This paper discusses the hydrophobicity of the pyrite surface under different extents of oxidation. Experimental results demonstrate that pyrite is floatable only under initial oxidation of its surface, while the fresh unoxidized or deeply oxidized surface of pyrite is hydrophilic. In the tests an organic reductant C6H3(OH)3 was chosen as the pyrite depressant. It is highly efficient ,and the sulfur in flotation can be significantly improved. 展开更多
关键词 surface of pyrite coal flotation coal desulfurization surface oxidation
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INVESTIGATION OF BEHAVIOR OF AMMONIUM SULFATE ON SURFACE OF IRON OXIDE Rong Sheng LI~*, Jing Feng CHEN, Hun YANG, Wu Yang ZHANG Dept. of Chemistry, Jilin University, Changchun 130023,
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作者 Quan WEI Testing Center, Jilin University 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第5期463-466,共4页
hhen ammonium sulfate-iron oxide is treated below 573 K, ammonium sulfate can spontaneously desperse on the surface of iron oxide. Simultaneously ammonium sulfate decomposes to some extent. During or after the dispers... hhen ammonium sulfate-iron oxide is treated below 573 K, ammonium sulfate can spontaneously desperse on the surface of iron oxide. Simultaneously ammonium sulfate decomposes to some extent. During or after the dispersion, sulfate ion can interact with Fe atom on the surface of iron oxide to form a sort of surface sulfato complex of Fe and thus is transformed from the isolated into the bidentately bound form. Above 573 K the sulfato complex of Fe will gradually decompose with a further increase in temperature. 展开更多
关键词 of Chemistry Wu Yang ZHANG Dept Jing Feng CHEN INVESTIGATION OF BEHAVIOR OF AMMONIUM SULFATE ON surface OF IRON OXIDE Rong Sheng LI Jilin University Changchun 130023 Hun YANG
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New Evidences for the Adsorption of Methane over Oxide Surfaces
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作者 Fa Qiang XU Shi Kong SHEN Jin Zhen XUE(National Synchrotron Radiation Laboratory.University of Science and Technology of China.Hefei 230029.)(Key State Laboratory for Oxo Synthesis and Selective Oxidation. Lanzhou Institute of Chemical Physics.Chinese Ac 《Chinese Chemical Letters》 SCIE CAS CSCD 1996年第9期875+873-874,共3页
It is indicative of the TSR result that CH4 was strongly adsorbed on well degassed SrCO3 surface at high temperatUre.A desorption peak of CH4 was found in CH4TPD profile which appeared at ca. 310℃.The strong adsorpti... It is indicative of the TSR result that CH4 was strongly adsorbed on well degassed SrCO3 surface at high temperatUre.A desorption peak of CH4 was found in CH4TPD profile which appeared at ca. 310℃.The strong adsorption of CH4 over the surface of SrCO3 was attributed to the strong basicity of SrO sites resulted from decomposition of SrCO_3 展开更多
关键词 OVER New Evidences for the Adsorption of Methane over Oxide surfaces
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Study on the surface of hydrous titanium oxide adsorbent for extracting uranium from seawater-Ⅱ. The surface of HTO
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作者 Chen Huizhen and Jiang Anbei Third Institute of Oceanography, State Oceanic Administration, Xiamen, ChinaLanzhou Institute of Chemical Physics, Academia Sinica, Lanzhou, China Present address: Analysis and Testing Centre, Xiamen University, Xiamen, China 《Acta Oceanologica Sinica》 SCIE CAS CSCD 1991年第1期83-92,共10页
This is second paper summarizing the study on the hydrous titanium oxide absorbent for extracting uranium fromseawater. The investigation is performed by means of X- ray photoelectronic energy spectroscopy for chemica... This is second paper summarizing the study on the hydrous titanium oxide absorbent for extracting uranium fromseawater. The investigation is performed by means of X- ray photoelectronic energy spectroscopy for chemical analysis ( ESC A ) , determination of surface hydroxy radical, Fourier-transfer infrared spectrophotometry (FT-IR ) , electron paramagnetic resonance (EPR), inductively coupled Plasma torch (ICP), etc. The emphasis is laid upon the exploration of HTO surface and a discussion about the adsorption micromechanism. 展开更多
关键词 In Study on the surface of hydrous titanium oxide adsorbent for extracting uranium from seawater The surface of HTO
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Quick Surface Treatment of AZ31B by AC Micro-arc Oxidation
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作者 王胜林 张鹏 +2 位作者 DU Yunhui WANG Yujie HAO Zhiqiang 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2014年第4期773-779,共7页
In order to explore an effective way to shorten treatment time and enhance the quality of treatment coating, AC micro-arc oxidation was conducted to treat the surface of AZ31 B deformation magnesium alloy in KF+KOH t... In order to explore an effective way to shorten treatment time and enhance the quality of treatment coating, AC micro-arc oxidation was conducted to treat the surface of AZ31 B deformation magnesium alloy in KF+KOH treatment solution. The infl uences of micro-arc oxidation parameters such as concentration of KF, concentration of KOH, output voltage of booster, temperature of treatment solution, and treatment time on treatment coating thickness were raveled out under different conditions. The structure and composition of treatment coating were determined, the growth mechanism of treatment coating was discussed, and the quick surface treatment technology for compact treatment coating with maximum thickness was developed. The experimental results show that: A maximum 33 μm-thick compact treatment coating, consisting of MgF2 and MgO mainly, can be formed on AZ31 B in 112 s under the conditions of 1 132 g/L KF, 382 g/L KOH, 66 V for output voltage of booster and 34 ℃ of treatment solution which were optimized by a genetic algorithm from the model established by artifi cial neural networks. There are no "crater-shaped" pores in this treatment coating as the heat shock resulting from the smooth variation of AC sinusoidal voltage is far smaller than that of the rigidly varied DC or pulse current. The treatment time is only one sixth of that adopted in the other surface treatment technology at best, principally for the reason that the coating can always grow irrespective of the electric potential of AZ31 B. This investigation lays a fi rm foundation for the extensive application of magnesium alloy. 展开更多
关键词 AZ31B deformation magnesium alloy quick surface treatment AC micro-arc oxidation
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Observation of selective surface element substitution in FeTe_(0.5)Se_(0.5) superconductor thin film exposed to ambient air by synchrotron radiation spectroscopy
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作者 张念 刘晨 +7 位作者 赵佳丽 雷涛 王嘉鸥 钱海杰 吴蕊 颜雷 郭海中 奎热西 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第9期540-545,共6页
A systematic investigation of oxidation on a superconductive Fe Te_(0.5)Se_(0.5)thin film,which was grown on Nb-doped SrTiO_3(001) by pulsed laser deposition,has been carried out.The sample was exposed to ambien... A systematic investigation of oxidation on a superconductive Fe Te_(0.5)Se_(0.5)thin film,which was grown on Nb-doped SrTiO_3(001) by pulsed laser deposition,has been carried out.The sample was exposed to ambient air for one month for oxidation.Macroscopically,the exposed specimen lost its superconductivity due to oxidation.The specimen was subjected to in situ synchrotron radiation photoelectron spectroscopy(PES) and x-ray absorption spectroscopy(XAS) measurements following cycles of annealing and argon ion etching treatments to unravel what happened in the electronic structure and composition after exposure to air.By the spectroscopic measurements,we found that the as-grown FeTe_(0.5)Se_(0.5)superconductive thin film experienced an element selective substitution reaction.The oxidation preferentially proceeds through pumping out the Te and forming Fe–O bonds by O substitution of Te.In addition,our results certify that in situ vacuum annealing and low-energy argon ion etching methods combined with spectroscopy are suitable for depth element and valence analysis of layered structure superconductor materials. 展开更多
关键词 11 iron-based superconductor oxidation mechanism in ambient air selective surface element substitution synchrotron radiation spectroscopy
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Oxidation behavior of Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2)C-M_(x)C(M=Ti,Zr,Hf,Nb,Ta) composite ceramic at high temperature
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作者 徐帅 王韬 +7 位作者 王新刚 吴璐 方忠强 葛芳芳 蒙萱 廖庆 魏金春 李炳生 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第6期629-637,共9页
Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2)C-M_(t)C composite ceramic was prepared by hot press sintering,with the Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2)C high-entropy carbide as the main phase.Secondary phase M_(x)C(M... Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2)C-M_(t)C composite ceramic was prepared by hot press sintering,with the Ti_(0.2)Zr_(0.2)Hf_(0.2)Nb_(0.2)Ta_(0.2)C high-entropy carbide as the main phase.Secondary phase M_(x)C(M=Ti,Zr,Hf,Nb,Ta) was found to be distributed relatively uniform in the composite ceramic.The oxidation behavior of the ceramic was examined after exposure to 923 K and 1173 K.Morphology of the surface and cross sections of all oxidation samples were observed.The characteristics of the oxidation behavior of the high-entropy carbide and the secondary phase M_(x)C were compared and analyzed.The secondary phases(such as Ti-rich carbide or Hf-rich carbide) in the material were seriously oxidized at 923 K and 1173 K,which reflects the superior oxidation performance of the high-entropy carbide.The nano high-entropy oxides with Ti,Zr,Hf,Nb,Ta,and O elements were discovered by oxidation of the composite ceramic.This research will help deepen the understanding of the oxidation mechanism of high-entropy carbide and composite ceramic. 展开更多
关键词 ceramic composites oxidation oxide surface microstructure
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Water sorption on coal:effects of oxygen-containing function groups and pore structure 被引量:4
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作者 Ang Liu Shimin Liu +1 位作者 Peng Liu Kai Wang 《International Journal of Coal Science & Technology》 EI CAS CSCD 2021年第5期983-1002,共20页
Coal-water interactions have profound influences on gas extraction from coal and coal utilization.Experimental measurements on three coals using X-ray photoelectron spectroscopy(XPS),low-temperature nitrogen adsorptio... Coal-water interactions have profound influences on gas extraction from coal and coal utilization.Experimental measurements on three coals using X-ray photoelectron spectroscopy(XPS),low-temperature nitrogen adsorption and dynamic water vapor sorption(DVS)were conducted.A mechanism-based isotherm model was proposed to estimate the water vapor uptake at various relative humidities,which is well validated with the DVS data.The validated isotherm model of sorption was further used to derive the isosteric heat of water vapor sorption.The specific surface area of coal pores is not the determining parameter that controls water vapor sorption at least during the primary adsorption stage.Oxidation degree dominates the primary adsorption,and which togethering with the cumulative pore volume determine the secondary adsorption.Higher temperature has limited effects on primary adsorption process.The isosteric heat of water adsorption decreases as water vapor uptake increases,which is found to be close to the latent heat of bulk water condensation at higher relative humidity.The results confirmed that the primary adsorption is controlled by the stronger bonding energy while the interaction energy between water molecules during secondary adsorption stage is relatively weak.However,the thermodynamics of coal-water interactions are complicated since the internal bonding interactions within the coal are disrupted at the same time as new bonding interactions take place within water molecules.Coal has a shrinkage/swelling colloidal structure with moisture loss/gain and it may exhibit collapse behavior with some collapses irreversible as a function of relative humidity,which further plays a significant role in determining moisture retention. 展开更多
关键词 Water vapor ISOTHERM surface oxidation Pore collapse Isosteric heat of adsorption
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Unraveling the catalytically active phase of carbon dioxide hydrogenation to methanol on Zn/Cu alloy: Single atom versus small cluster 被引量:1
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作者 Xiao-Kuan Wu Hui-Min Yan +3 位作者 Wei Zhang Jie Zhang Guang-Jie Xia Yang-Gang Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第10期582-593,I0015,共13页
Methanol synthesis from CO_(2)hydrogenation catalyzed by Zn/Cu alloy has been widely studied,but there is still debate on its catalytic active phase and whether the Zn can be oxidized during the reaction process.What ... Methanol synthesis from CO_(2)hydrogenation catalyzed by Zn/Cu alloy has been widely studied,but there is still debate on its catalytic active phase and whether the Zn can be oxidized during the reaction process.What is more,as Zn atoms could locate on Zn/Cu alloy surface in forms of both single atom and cluster,how Zn surface distribution affects catalytic activity is still not clear.In this work,we performed a systematic theoretical study to compare the mechanistic natures and catalytic pathways between Zn single atom and small cluster on catalyst surface,where the surface oxidation was shown to play the critical role.Before surface oxidation,the Zn single atom/Cu is more active than the Zn small cluster/Cu,but its surface oxidation is difficult to take place.Instead,after the easy surface oxidation by CO_(2)decomposition,the oxidized Zn small cluster/Cu becomes much more active,which even exceeds the hardlyoxidized Zn single atom/Cu to become the active phase.Further analyses show this dramatic promotion of surface oxidation can be ascribed to the following factors:i)The O from surface oxidation could preferably occupy the strongest binding sites on the center of Zn cluster.That makes the O intermediates bind at the Zn/Cu interface,preventing their too tight binding for further hydrogenation;ii)The higher positive charge and work function on the oxidized surface could also promote the hydrogenation of O intermediates.This work provided one more example that under certain condition,the metal cluster can be more active than the single atom in heterogeneous catalysis. 展开更多
关键词 CO_(2)hydrogenation surface oxidation Zn/Cu alloy Catalytically active phase
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Highly stable two-dimensional graphene oxide:Electronic properties of its periodic structure and optical properties of its nanostructures 被引量:1
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作者 张琴 张红 程新路 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第2期533-539,共7页
According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide(C_2O).Using density functional theory(DFT), C_2O is found to be a direct gap semiconductor. In additi... According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide(C_2O).Using density functional theory(DFT), C_2O is found to be a direct gap semiconductor. In addition, we obtain the absorption spectra of the periodic structure of C_2O, which show optical anisotropy. To study the optical properties of C_2O nanostructures, time-dependent density functional theory(TDDFT) is used. The C_2O nanostructure has a strong absorption near 7 eV when the incident light polarizes along the armchair-edge. Besides, we find that the optical properties can be controlled by the edge configuration and the size of the C_2O nanostructure. With the elongation strain increasing, the range of light absorption becomes wider and there is a red shift of absorption spectrum. 展开更多
关键词 two-dimensional(2D) materials graphene oxide surface plasmons
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Degradation mechanism of two-dimensional electron gas density in high Al-content AlGaN/GaN heterostructures
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作者 张进成 郑鹏天 +2 位作者 张娟 许志豪 郝跃 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第7期2998-3001,共4页
This paper finds that the two-dimensional electron gas density in high Al-content A1GaN/GaN heterostructures exhibits an obvious time-dependent degradation after the epitaxial growth. The degradation mechanism was inv... This paper finds that the two-dimensional electron gas density in high Al-content A1GaN/GaN heterostructures exhibits an obvious time-dependent degradation after the epitaxial growth. The degradation mechanism was investigated in depth using Hall effect measurements,high resolution x-ray diffraction,scanning electron microscopy,x-ray photoelectron spectroscopy and energy dispersive x-ray spectroscopy.The results reveal that the formation of surface oxide is the main reason for the degradation,and the surface oxidation always occurs within the surface hexagonal defects for high Al-content AlGaN/GaN heterostructures. 展开更多
关键词 degradation mechanism two-dimensional electron gas AlGaN/GaN heterostructures surface oxidation
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