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Vibrational Resolved Photoelectron Imaging and Theoretical Study of the Group IVB Transition Metal Oxides Anions:MO_(2)^(-)(M=Ti,Zr,and Hf)
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作者 Hechen Ju Yuan Zhou +4 位作者 Changcai Han Zejie Fei Xiao-Gen Xiong Changwu Dong Hongtao Liu 《Chinese Journal of Chemical Physics》 2025年第5期615-624,I0148,共11页
The vibrational resolved spectra of MO_(2)^(-)/MO_(2)(M=Ti,Zr,and Hf)are reported by using photoelectron imaging and theoretical calculations.The results indicate that all the ground states of anionic and neutral MO_(... The vibrational resolved spectra of MO_(2)^(-)/MO_(2)(M=Ti,Zr,and Hf)are reported by using photoelectron imaging and theoretical calculations.The results indicate that all the ground states of anionic and neutral MO_(2)(M=Ti,Zr,and Hf)compounds are formed in bent insertion structures.The observed ground-state adiabatic detachment energy(ADE)is measured to be 1.597±0.003,1.651±0.003,and 2.119±0.003 eV for TiO_(2)^(-),ZrO_(2)^(-),and HfO_(2)^(-),respectively.The vibrational frequencies of the anionic and neutral MO_(2)are also determined from the experimental spectra.The results of theoretical calculations show that the electronic configurations of MO_(2)^(-)are^(2)A_(1)with C_(2v)point group.Bond order analysis indicates that the two M-O bonds are all multiple characters. 展开更多
关键词 Photoelectron spectroscopy transition metal oxides Velocity-map imaging Franck-Condon simulation
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Recent progress on transition metal oxides and carbon-supported transition metal oxides as catalysts for thermal decomposition of ammonium perchlorate 被引量:3
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作者 Teng Chen Yi-wen Hu +1 位作者 Cai Zhang Zhao-jian Gao 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2021年第4期1471-1485,共15页
As a main oxidizer in solid composite propellants,ammonium perchlorate(AP)plays an important role because its thermal decomposition behavior has a direct influence on the characteristic of solid composite propellants.... As a main oxidizer in solid composite propellants,ammonium perchlorate(AP)plays an important role because its thermal decomposition behavior has a direct influence on the characteristic of solid composite propellants.To improve the performance of solid composite propellant,it is necessary to take measures to modify the thermal decomposition behavior of AP.In recent years,transition metal oxides and carbon-supported transition metal oxides have drawn considerable attention due to their extraordinary catalytic activity.In this review,we highlight strategies to enhance the thermal decomposition of AP by tuning morphology,varying the types of metal ion,and coupling with carbon analogue.The enhanced catalytic performance can be ascribed to synergistic effect,increased surface area,more exposed active sites,and accelerated electron transportation and so on.The mechanism of AP decomposition mixed with catalyst has also been briefly summarized.Finally,a conclusive outlook and possible research directions are suggested to address challenges such as lacking practical application in actual formulation of solid composite propellant and batch manufacturing. 展开更多
关键词 transition metal oxides Carbon-supported transition metal oxides CATALYST Ammonium perchlorate Thermal decomposition
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Role of transition metal oxides in g-C_(3)N_(4)-based heterojunctions for photocatalysis and supercapacitors 被引量:11
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作者 Liqi Bai Hongwei Huang +3 位作者 Shixin Yu Deyang Zhang Haitao Huang Yihe Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第1期214-235,I0007,共23页
g-C_(3)N_(4) emerges as a star 2D photocatalyst due to its unique layered structure,suitable band structure and low cost.However,its photocatalytic application is limited by the fast charge recombination and low photo... g-C_(3)N_(4) emerges as a star 2D photocatalyst due to its unique layered structure,suitable band structure and low cost.However,its photocatalytic application is limited by the fast charge recombination and low photoabsorption.Rationally designing g-C_(3)N_(4)-based heterojunction is promising for improving photocatalytic activity.Besides,g-C_(3)N_(4) exhibits great potentials in electrochemical energy storage.In view of the excellent performance of typical transition metal oxides(TMOs)in photocatalysis and energy storage,this review summarized the advances of TMOs/g-C_(3)N_(4) heterojunctions in the above two areas.Firstly,we introduce several typical TMOs based on their crystal structures and band structures.Then,we summarize different kinds of TMOs/g-C_(3)N_(4) heterojunctions,including type Ⅰ/Ⅱ heterojunction,Z-scheme,p-n junction and Schottky junction,with diverse photocatalytic applications(pollutant degradation,water splitting,CO_(2) reduction and N_(2) fixation)and supercapacitive energy storage.Finally,some promising strategies for improving the performance of TMOs/g-C_(3)N_(4) were proposed.Particularly,the exploration of photocatalysis-assisted supercapacitors was discussed. 展开更多
关键词 transition metal oxides Carbon nitride HETEROJUNCTION PHOTOCATALYSIS SUPERCAPACITORS
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State-of-the-art advancements of transition metal oxides as photoelectrode materials for solar water splitting 被引量:4
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作者 Gai-Li Ke Bi Jia +2 位作者 Hui-Chao He Yong Zhou Ming Zhou 《Rare Metals》 SCIE EI CAS CSCD 2022年第7期2370-2386,共17页
Photoelectrochemical(PEC)water splitting can convert renewable solar energy into clean hydrogen fuel.Photoelectrodes are the core components of water-splitting cells.In the past 40 years,a series of binary and ternary... Photoelectrochemical(PEC)water splitting can convert renewable solar energy into clean hydrogen fuel.Photoelectrodes are the core components of water-splitting cells.In the past 40 years,a series of binary and ternary transition metal oxides have been investigated as photo-electrode materials for solar water splitting,and numerous studies have been carried out to modify their water-split-ting performances.Although satisfactory transition metal oxide photoelectrode materials have not been found,it is necessary to summarize the recent advancements in tran-sition metal oxide photoelectrode materials to guide future research.In this review,the background and principle of PEC water splitting are introduced.The semiconductor properties and modification progress of typical binary and ternary metal oxide photoanodes and photocathodes for solar water splitting are summarized.Based on the newly developed strategies in recent years,a brief outlook is presented for efficient PEC water splitting using transition metal oxide photoelectrodes. 展开更多
关键词 transition metal oxides Photoanodes PHOTOCATHODES Water splitting REVIEW
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Recent advances in pseudocapacitor electrode materials: Transition metal oxides and nitrides 被引量:4
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作者 Chen-qi YI Jian-peng ZOU +1 位作者 Hong-zhi YANG Xian LENG 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2018年第10期1980-2001,共22页
Faraday pseudocapacitors take both advantages of secondary battery with high energy density and supercapacitors with high power density,and electrode material is the key to determine the performance of Faraday pseudoc... Faraday pseudocapacitors take both advantages of secondary battery with high energy density and supercapacitors with high power density,and electrode material is the key to determine the performance of Faraday pseudocapacitors.Transition metal oxides and nitrides,as the two main kinds of pseudocapacitor electrode materials,can enhance energy density while maintaining high power capability.Recent advances in designing nanostructured architectures and preparing composites with high specific surface areas based on transition metal oxides and nitrides,including ruthenium oxides,nickel oxides,manganese oxides,vanadium oxides,cobalt oxides,iridium oxides,titanium nitrides,vanadium nitrides,molybdenum nitrides and niobium nitrides,are addressed,which would provide important significances for deep researches on pseudocapacitor electrode materials. 展开更多
关键词 PSEUDOCAPACITOR transition metal oxides transition metal nitrides energy density power density
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A review on transition metal oxides based photocatalysts for degradation of synthetic organic pollutants 被引量:2
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作者 Athira Krishnan Anna Swarnalal +3 位作者 Divine Das Midhina Krishnan Viswanathan S.Saji SMAShibli 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2024年第5期389-417,共29页
This review provides insight into the current research trend in transition metal oxides(TMOs)-based photocatalysis in removing the organic colouring matters from water.For easy understanding,the research progress has ... This review provides insight into the current research trend in transition metal oxides(TMOs)-based photocatalysis in removing the organic colouring matters from water.For easy understanding,the research progress has been presented in four generations according to the catalyst composition and mode of application,viz:single component TMOs(the firstgeneration),doped TMOs/binary TMOs/doped binary TMOs(the second-generation),inactive/active support-immobilized TMOs(the third-generation),and ternary/quaternary compositions(the fourth-generation).The first two generations represent suspended catalysts,the third generation is supported catalysts,and the fourth generation can be suspended or supported.The review provides an elaborated comparison between suspended and supported catalysts,their general/specific requirements,key factors controlling degradation,and the methodologies for performance evaluation.All the plausible fundamental and advanced dye degradation mechanisms involved in each generation of catalysts were demonstrated.The existing challenges in TMOs-based photocatalysis and how the researchers approach the hitch to resolve it effectively are discussed.Future research trends are also presented. 展开更多
关键词 PHOTOCATALYSIS Dye degradation transition metal oxides and composites Supported catalysts Suspended catalysts
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Effect of Crystallinity on Electrochemical Insertion/Extraction of Li in Transition Metal Oxides Part I: LiMn_2O_4 and LiCo_(0.5)Ni_(0.5)O_2 被引量:2
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作者 Tomoki TSUMURA and Michio INAGAKI (Graduate School of Engineering, Hokkaido University Kita-ku, Sapporo, 060-8628 Japan) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 1999年第6期509-514,共6页
Electrochemical insertion/extraction of Li on cathode materials of spinel type LiMn2O4 and ordered rock-salt type LiCo0.5 Ni0.5O2 was measured on samples of which structures were well characterized. On the basis of ex... Electrochemical insertion/extraction of Li on cathode materials of spinel type LiMn2O4 and ordered rock-salt type LiCo0.5 Ni0.5O2 was measured on samples of which structures were well characterized. On the basis of experimental results on structure, morphology and charge-discharge characteristics, the effect of crystallinity of the cathode materiaIs on electrochemical Li insertion/extraction performance was discussed. These two transition metal oxides belong to onegroup that the crystallinity of these oxides affects to the performance. 展开更多
关键词 LiMn2O4 and LiCo Effect of Crystallinity on Electrochemical Insertion/Extraction of Li in transition metal oxides Part I O2 NI
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Effective modification of MgO with surface transition metal oxides for NF_3 decomposition 被引量:1
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作者 Yanan Wang Xiufeng Xu PeiSheng Hongguang Li Tingting Wang Youfen Huang Fangshu Liu 《Journal of Natural Gas Chemistry》 EI CAS CSCD 2011年第5期457-459,共3页
NF3 decomposition over transition metal oxides coated MgO reagents in the absence of water is investigated. The results show that NF3 can be decomposed completely over pure MgO but the time of NF3 steady full conversi... NF3 decomposition over transition metal oxides coated MgO reagents in the absence of water is investigated. The results show that NF3 can be decomposed completely over pure MgO but the time of NF3 steady full conversion kept as short as 80 min, while the reactivities of coated MgO reagents were remarkably enhanced by transition metal oxides, for example the time of NF3 complete conversion over 12%Fe/MgO extended to 380 min. It is suggested that not only an increase in surface area but also a significant enhancement in the fluorination of MgO substrate caused by the surface transition metal oxides result in an improved reactivity of coated MgO reagents for NF3 decomposition. 展开更多
关键词 NF3 decomposition defluorinated reagents transition metal oxides coated MgO REACTIVITY
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Effect of Crystallinity on Electrochemical Insertion/Extraction of Li in Transition Metal Oxides Part Ⅱ: TiO_2, V_2O_5 and MoO_3 被引量:1
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作者 Tomoki TSUMURA and Michio INAGAKI (Graduate School of Engineering, Hokkaido University Kita-ku, Sapporo, 060-8628, Japan) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2000年第1期5-14,共10页
Electrochemical insertion/extraction of Li on cathode materials of anatase type TiO_2, quasilayered structure V_2O_5 and layered structure MoO_3 was measured on samples of which structures were well characterized and... Electrochemical insertion/extraction of Li on cathode materials of anatase type TiO_2, quasilayered structure V_2O_5 and layered structure MoO_3 was measured on samples of which structures were well characterized and showed a wide range of crystallinity. On the basis of experimental results on structure, morphology and charge-discharge characteristics, the effect of crystallinity of the cathode materials on electrochemical Li insertion/extraction pedermance was discussed. These three transition metal oxides were classified as one group on the basis of whether the crystallinity of these oxides affects to the performance or not; LiMn_2O_4 and LiCo_(0.5)O_2 belongs to the former group and TiO_2, V_2O_5 and MoO_3 to the latter. 展开更多
关键词 LI Effect of Crystallinity on Electrochemical Insertion/Extraction of Li in transition metal oxides PART V2O5 and MoO3
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Advances in catalytic elimination of atmospheric pollutants by two-dimensional transition metal oxides
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作者 Rong Li Yongfang Rao Yu Huang 《Chinese Chemical Letters》 SCIE CAS CSCD 2023年第6期18-25,共8页
Atmospheric pollutants can deteriorate air quality and put human health at risk.There is a growing need for green,economical,and efficient technologies,among which catalytic elimination technology is the most promisin... Atmospheric pollutants can deteriorate air quality and put human health at risk.There is a growing need for green,economical,and efficient technologies,among which catalytic elimination technology is the most promising,to remove atmospheric pollutants.Two-dimensional transition metal oxides(2D TMOs)have recently become attractive catalysts due to their highly exposed active sites,excellent reactant transport properties,and extraordinary catalytic performance.This review systematically summarizes the topdown and bottom-up preparation methods of 2D TMOs and focuses on the specific applications of 2D TMOs in the catalytic elimination of atmospheric inorganic pollutants and volatile organic pollutants.The development of 2D TMOs in the catalytic elimination of atmospheric pollutants is prospected.This review is expected to provide design insights into efficient 2D TMOs to remove atmospheric pollutants. 展开更多
关键词 Two-dimensional structure transition metal oxides Atmospheric pollutants Catalytic elimination Preparation method
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Catalysis of Active Carbon Supporting Transition Metal Oxides for Pyrotechnical Reagent with Potassium Perchlorate
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作者 钱新明 邓楠 +1 位作者 孙文磊 魏思凡 《Journal of Beijing Institute of Technology》 EI CAS 2010年第3期268-273,共6页
In order to improve the pyrotechnical reagent with potassium perchlorate,composite catalyst of active carbon supporting transition metal oxides (TMO),Fe2O3 and CuO,were prepared and added into pyrotechnical reagent ... In order to improve the pyrotechnical reagent with potassium perchlorate,composite catalyst of active carbon supporting transition metal oxides (TMO),Fe2O3 and CuO,were prepared and added into pyrotechnical reagent with potassium perchlorate.Accelerating rate calorimeter (ARC) was used to study the catalysis of pyrotechnical reagent which is consisted of potassium perchlorate and composite catalyst.Composite catalyst of both Fe2O3 and CuO supported by active carbon can catalyze pyrotechnical reagent with potassium perchlorate.Furthermore,it can lower the apparent activation energy and accelerate the reaction with a smaller quantity than that with Fe2O3 and CuO.The maximal reaction rate of pyrotechnical reagent with potassium perchlorate mixed with Fe2O3/active carbon and CuO/active carbon is 8.31 min-1 and 9.13 min-1,which is 1.74 times and 1.91 times of pyrotechnical reagent mixed with no catalyst;time to maximal rate was 18.99 min and 1.96 min respectively,which is lower than pyrotechnical reagent mixed with no catalyst by 86.46% and 98.67% ;the apparent activation energy is 368.10 kJ·mol-1 and 325.29 kJ·mol-1,which is lower than pyrotechnical reagent mixed with no catalyst by 31.89% and 39.81% respectively. 展开更多
关键词 active carbon transition metal oxides (TMO) potassium perchlorate pyrotechnical reagent CATALYSIS
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Effects of Transition Metal Oxides on Thermal Conductivity of Mould Fluxes 被引量:2
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作者 QIU Xin XIE Bing +3 位作者 QING Xue-mei DIAO Jiang HUANG Qing-yun WANG Shui-bo 《Journal of Iron and Steel Research International》 SCIE EI CAS CSCD 2013年第11期27-32,共6页
The thermal conductivity of the mould fluxes containing transition metal oxides was measured by hotline method at different temperatures. The relationship between the thermal conductivity of mold fluxes and the conten... The thermal conductivity of the mould fluxes containing transition metal oxides was measured by hotline method at different temperatures. The relationship between the thermal conductivity of mold fluxes and the contents of transition metal oxides was discussed. The synthetic slags were composed of 30.0% - 35.4%CaO, 34.7% - 38.6% SiO2, 6% Al2O3, 9% Na2O, 14.4% CaF2, 0-4% Cr2O3 and 0-8% MnO in mass percent. The results indicated that Cr2O3 and MnO had a negative effect on thermal conductivity of mold fluxes. The thermal conductivity of mold fluxes was about 0.25-0.55 W/(m · K) when the temperature reached 1 300 ℃, and it increased sharply to about 1.32-1.99 W/(m · K) when the temperature reduced from 1300 to 1000 ℃. The thermal conductivity of mold fluxes containing Cr2 O3 and MnO was 10 %- 25% lower than those of original fluxes. The decrease in thermal conductivity was attributed to the change of molecular structure of mold fluxes. In addition, the poor integrity and regulation of polycrystal structure, complexity of crystal structure, and effects of impurities in the boundary and lat- tice distortion leaded to the reduction in the thermal conductivity. Na2 CrO4, Mn2 SiO4 and other minor phases were also found in the samples containing Cr2O3 and MnO, respectively. 展开更多
关键词 mould flux heat transfer transition metal oxide thermal conductivity
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Protonated and layered transition metal oxides as solid acids for dehydration of biomass-based fructose into 5-hydroxymethylfurfural
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作者 Jiawei Zhong Yuanyuan Guo Jinzhu Chen 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2017年第1期147-154,共8页
A serial of protonated and layered transition metal oxides, including layered HTaWO6, HNbMoO6 as well as HNbWO6, were synthesized by solid-state reaction and ion-exchange. The layered HTaWO6 has been systematically st... A serial of protonated and layered transition metal oxides, including layered HTaWO6, HNbMoO6 as well as HNbWO6, were synthesized by solid-state reaction and ion-exchange. The layered HTaWO6 has been systematically studied as a solid acid to realize the dehydration of fructose to 5-hydroxymethylfurfural (HMF). The transition metal oxide samples were characterized with ICP-OES, EDS, XRD, XPS, SEM, TGA, FT-IR, N-2 adsorption-desorption and NH3-TPD. The influential factors such as reaction temperature, reaction time, solvent, catalyst amount and substrate concentration were deeply investigated. The optimized fructose conversion rate of 99% with HMF yield of 67% were achieved after 30 min at 140 degrees C in dimethylsulfoxide. (C) 2016 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. and Science Press. All rights reserved. 展开更多
关键词 BIOMASS DEHYDRATION 5-HYDROXYMETHYLFURFURAL Layered transition metal oxide Solid acid
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Effect of Elastic Strains on Adsorption Energies of C,H and O on Transition Metal Oxides
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作者 XIE Tian SONG Erhong 《无机材料学报》 SCIE EI CAS CSCD 北大核心 2024年第11期1292-1302,共11页
Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TM... Platinum(Pt)-based noble metal catalysts(PGMs)are the most widely used commercial catalysts,but they have the problems of high cost,low reserves,and susceptibility to small-molecule toxicity.Transition metal oxides(TMOs)are regarded as potential substitutes for PGMs because of their stability in oxidizing environments and excellent catalytic performance.In this study,comprehensive investigation into the influence of elastic strains on the adsorption energies of carbon(C),hydrogen(H)and oxygen(O)on TMOs was conducted.Based on density functional theory(DFT)calculations,these effects in both tetragonal structures(PtO_(2),PdO_(2))and hexagonal structures(ZnO,CdO),along with their respective transition metals were systematically explored.It was identified that the optimal adsorption sites on metal oxides pinpointed the top of oxygen or the top of metal atom,while face-centered cubic(FCC)and hexagonal close-packed(HCP)holes were preferred for the transition metals.Furthermore,under the influence of elastic strains,the results demonstrated significant disparities in the adsorption energies of H and O between oxides and transition metals.Despite these differences,the effect of elastic strains on the adsorption energies of C,H and O on TMOs mirrored those on transition metals:adsorption energies increased under compressive strains,indicating weaker adsorption,and decreased under tension strains,indicating stronger adsorption.This behavior was rationalized based on the d-band model for adsorption atop a metallic atom or the p-band model for adsorption atop an oxygen atom.Consequently,elastic strains present a promising avenue for tailoring the catalytic properties of TMOs. 展开更多
关键词 density functional theory adsorption energy elastic strain engineering transition metal oxide CATALYST
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Hierarchically nanostructured transition metal oxides for supercapacitors 被引量:15
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作者 Mingbo Zheng Xiao Xiao +6 位作者 Lulu Li Peng Gu Xiao Dai Hao Tang Qin Hu Huaiguo Xue Huan Pang 《Science China Materials》 SCIE EI CSCD 2018年第2期185-209,共25页
Highly efficient,clean,and sustainable electrochemical energy storage technologies have been investigated extensively to counter the shortage of fossil fuels and increasingly prominent environmental problems.Supercapa... Highly efficient,clean,and sustainable electrochemical energy storage technologies have been investigated extensively to counter the shortage of fossil fuels and increasingly prominent environmental problems.Supercapacitors(SCs)have received wide attention as critical devices for electrochemical energy storage because of their rapid charging-discharging capability and long life cycle.Various transition metal oxides(TMOs),such as MnO_2,NiO,Co_3O_4,and CuO,have been extensively studied as electrode materials for SCs.Compared with carbon and conducting polymers,TMO materials can achieve higher specific capacitance.For further improvement of electrochemical performance,hierarchically nano structured TMO materials have become a hot research area for electrode materials in SCs.The hierarchical nanostructure can not only offer abundant accessible electroactive sites for redox reactions but also shorten the ion diffusion pathway.In this review,we provide an overall summary and evaluation of the recent progress of hierarchically nano structured TMOs for SCs,including synthesis methods,compositions,structures,and electrochemical performances.Both single-phase TMOs and the composites based on TMOs are summarized.Furthermore,we also prospect the developing foreground of this field.In this view,the important directions mainly include:the nanocomposites of TMOs materials with conductive materials;the cobalt-based materials and the nickel-based materials;the improvement of the volume energy density,the asymmetric SCs,and the flexible all-solid-state SCs. 展开更多
关键词 hierarchical nanostructure transition metal oxides SUPERCAPACITORS
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Interface of transition metal oxides at the atomic scale 被引量:1
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作者 Tong-Tong Shang Xin-Yu Liu Lin Gu 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2016年第9期1-9,共9页
Remarkable phenomena arise at well-defined heterostructures, composed of transition metal oxides, which is absent in the bulk counterpart, providing us a paradigm for exploring the various electron correlation effects... Remarkable phenomena arise at well-defined heterostructures, composed of transition metal oxides, which is absent in the bulk counterpart, providing us a paradigm for exploring the various electron correlation effects. The functional properties of such heterostructures have attracted much attention in the microelectronic and renewable energy fields. Exotic and unexpected states of matter could arise from the reconstruction and coupling among lattice, charge, orbital and spin at the interfaces. Aberration-corrected scanning transmission electron microscopy (STEM) is a powerful tool to visualize the lattice structure and electronic structure at the atomic scale. In the present study some novel phenomena of oxide heterostructures at the atomic scale are summarized and pointed out from the perspective of electron microscopy. 展开更多
关键词 INTERFACE transition metal oxides STEM strong correlation
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Screening of transition metal oxides for electrocatalytic nitrate reduction to ammonia at large currents 被引量:1
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作者 Qiongfei Wu Weijie Zhu +3 位作者 Dongxu Ma Chao Liang Zhoucheng Wang Hanfeng Liang 《Nano Research》 SCIE EI CSCD 2024年第5期3902-3910,共9页
Electrochemical nitrate reduction reaction(NO_(3)RR)towards ammonia,as an emerging and appealing technology alternative to the energy-intensive Haber-Bosch process and inefficient nitrogen reduction reaction,has recen... Electrochemical nitrate reduction reaction(NO_(3)RR)towards ammonia,as an emerging and appealing technology alternative to the energy-intensive Haber-Bosch process and inefficient nitrogen reduction reaction,has recently aroused wide concern and research.However,the current research of the NO_(3)RR towards ammonia lacks the overall performance comparison of various electrocatalysts.Given this,we here make a comparison of 12 common transition metal oxide catalysts for the NO_(3)RR under a high cathodic current density of 0.25 A·cm^(-2),wherein Co_(3)O_(4) catalyst displays the highest ammonia Faradaic efficiency(85.15%)and moderate activity(ca.-0.25 V vs.reversible hydrogen electrode).Other external factors,such as nitrate concentrations in the electrolyte and applied potential ranges,have also been specifically investigated for the NO_(3)RR. 展开更多
关键词 nitrate reduction reaction ammonia production transition metal oxides Co_(3)O_(4)
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Effect of transition metal oxides doping on Ce_(0.9)Sm_(0.05)Nd_(0.05)O_(1.95) solid electrolyte materials 被引量:1
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作者 Ming ZHOU Lin GE +1 位作者 Han CHEN Lucun GUO 《Journal of Advanced Ceramics》 SCIE CAS 2012年第2期150-156,共7页
The effect of transition metal oxides(TMOs)Co_(O1.5),Fe_(O1.5)and MnO_(2)addition on Ce_(0.9)Sm_(0.05)Nd_(0.05)O_(1.95)was studied.The crystal structures,microstructures,thermal expansion and electrical properties wer... The effect of transition metal oxides(TMOs)Co_(O1.5),Fe_(O1.5)and MnO_(2)addition on Ce_(0.9)Sm_(0.05)Nd_(0.05)O_(1.95)was studied.The crystal structures,microstructures,thermal expansion and electrical properties were characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),dilatometer and AC impedance spectroscopy,respectively.The results show that the TMOs addition remarkably promotes the densification of Ce_(0.9)Sm_(0.05)Nd_(0.05)O_(1.95)and reduces the sintering temperature by~150℃.The samples with TMOs addition sintered at 1450℃exhibit higher conductivities than those sintered at 1500℃.The maximum conductivity of 0.040 s.cm^(-1)at 700℃was achieved with 1 mol%FeO1.5 doping when sintered at 1450℃.In addition,the thermal expansion was linear for all the samples.The doping of TMOs does not appreciably change thermal expansion coefficient. 展开更多
关键词 transition metal oxides MICROSTRUCTURE thermal expansion ionic conductivity
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Corrigendum to“High-throughput discovery of kagome materials in transition metal oxide monolayers”
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作者 Renhong Wang Cong Wang +5 位作者 Ruixuan Li Deping Guo Jiaqi Dai Canbo Zong Weihan Zhang Wei Ji 《Chinese Physics B》 2025年第9期673-673,共1页
The labels of VU1 and VU2 in Fig.1(b)of the paper[Chin.Phys.B 34046801(2025)]were not correctly placed.The correct figure is provided.This modification does not affect the result presented in the paper.
关键词 CORRIGENDUM monolayers two-dimensional kagome materials transition metal oxides high-throughput calculations
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High-throughput discovery of kagome materials in transition metal oxide monolayers
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作者 Renhong Wang Cong Wang +5 位作者 Ruixuan Li Deping Guo Jiaqi Dai Canbo Zong Weihan Zhang Wei Ji 《Chinese Physics B》 2025年第4期47-53,共7页
Kagome materials are known for hosting exotic quantum states,including quantum spin liquids,charge density waves,and unconventional superconductivity.The search for kagome monolayers is driven by their ability to exhi... Kagome materials are known for hosting exotic quantum states,including quantum spin liquids,charge density waves,and unconventional superconductivity.The search for kagome monolayers is driven by their ability to exhibit neat and well-defined kagome bands near the Fermi level,which are more easily realized in the absence of interlayer interactions.However,this absence also destabilizes the monolayer forms of many bulk kagome materials,posing significant challenges to their discovery.In this work,we propose a strategy to address this challenge by utilizing oxygen vacancies in transition metal oxides within a“1+3”design framework.Through high-throughput computational screening of 349 candidate materials,we identified 12 thermodynamically stable kagome monolayers with diverse electronic and magnetic properties.These materials were classified into three categories based on their lattice geometry,symmetry,band gaps,and magnetic configurations.Detailed analysis of three representative monolayers revealed kagome band features near their Fermi levels,with orbital contributions varying between oxygen 2p and transition metal d states.This study demonstrates the feasibility of the“1+3”strategy,offering a promising approach to uncovering low-dimensional kagome materials and advancing the exploration of their quantum phenomena. 展开更多
关键词 monolayers two-dimensional kagome materials transition metal oxides high-throughput calculations
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