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Influence of Doped Elements on Electrochemical High Temperature Performance of La-riched Hydrogen Storage Material
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作者 李志尊 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2003年第2期25-28,共4页
The effects of small amounts of added elements such as aluminum, titanium and zirconium to MlNi 3.8(CoMn) 1.2 on its electrochemical performances and performances at high temperatures were investigated.It is fou... The effects of small amounts of added elements such as aluminum, titanium and zirconium to MlNi 3.8(CoMn) 1.2 on its electrochemical performances and performances at high temperatures were investigated.It is found that the addition of aluminum brings about a significant increase in the discharge capacity at high temperatures,and the capacity decay during repeated charge-discharge cycles and the self-discharge are both suppressed, while the rate capability decreases.The alloy containing zirconium exhibits a longer cycle life and a better rate capability,but a much lower discharge capacity.The addition of titanium improves the rate capability, but the capacity decreases greatly.An X-ray diffraction analysis indicates that a second phase exists in the alloy with additive Zr or Ti,which improves the discharge-rate characteristics,and the superior stability of the alloy with additive Al may be due to the expansion of lattice parameters and cell volume. 展开更多
关键词 doped elements metal hydride electrode electrochemical performance
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Sc-doped strontium iron molybdenum cathode for high-efficiency CO_(2)electrolysis in solid oxide electrolysis cell
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作者 LIU Zhen ZHANG Lihong +4 位作者 XU Chunming WANG Zhenhua QIAO Jinshuo SUN Wang SUN Kening 《燃料化学学报(中英文)》 北大核心 2025年第2期272-281,共10页
Solid oxide electrolysis cells(SOECs)can effectively convert CO_(2)into high value-added CO fuel.In this paper,Sc-doped Sr_(2)Fe_(1.5)Mo_(0.3)Sc_(0.2)O_(6−δ)(SFMSc)perovskite oxide material is synthesized via solid-p... Solid oxide electrolysis cells(SOECs)can effectively convert CO_(2)into high value-added CO fuel.In this paper,Sc-doped Sr_(2)Fe_(1.5)Mo_(0.3)Sc_(0.2)O_(6−δ)(SFMSc)perovskite oxide material is synthesized via solid-phase method as the cathode for CO_(2)electrolysis by SOECs.XRD confirms that SFMSc exhibits a stable cubic phase crystal structure.The experimental results of TPD,TG,EPR,CO_(2)-TPD further demonstrate that Sc-doping increases the concentration of oxygen vacancy in the material and the chemical adsorption capacity of CO_(2)molecules.Electrochemical tests reveal that SFMSc single cell achieves a current density of 2.26 A/cm^(2) and a lower polarization impedance of 0.32Ω·cm^(2) at 800°C under the applied voltage of 1.8 V.And no significant performance attenuation or carbon deposition is observed after 80 h continuous long-term stability test.This study provides a favorable support for the development of SOEC cathode materials with good electro-catalytic performance and stability. 展开更多
关键词 solid oxide electrolysis cells CATHODE PEROVSKITE ELECTRO-CATALYSIS element doping
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Preparation and performance of highly-conductive dual-doped Li_(7)La_(3)Zr_(2)O_(12)solid electrolytes for thermal batteries
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作者 Wei Li Shu Zhang +5 位作者 Xinya Bu Jing Luo Yi Zhang Mengyu Yan Ting Quan Yanli Zhu 《Green Energy & Environment》 2025年第2期399-409,共11页
Garnet Li_(7)La_(3)Zr_(2)O_(12)(LLZO)electrolytes have been recognized as a promising candidate to replace liquid/molten-state electrolytes in battery applications due to their exceptional performance,particularly Ga-... Garnet Li_(7)La_(3)Zr_(2)O_(12)(LLZO)electrolytes have been recognized as a promising candidate to replace liquid/molten-state electrolytes in battery applications due to their exceptional performance,particularly Ga-doped LLZO(LLZGO),which exhibits high ionic conductivity.However,the limited size of the Liþtransport bottleneck restricts its high-current discharging performance.The present study focuses on the synthesis of Ga^(3+)þand Ba^(2+)þco-doped LLZO(LLZGBO)and investigates the influence of doping contents on the morphology,crystal structure,Liþtransport bottleneck size,and ionic conductivity.In particular,Ga_(0.32)Ba_(0.15)exhibits the highest ionic conductivity(6.11E-2 S cm^(-1) at 550 C)in comparison with other compositions,which can be attributed to its higher-energy morphology,larger bottleneck and unique Liþtransport channel.In addition to Ba^(2+),Sr^(2+)þand Ca^(2+)have been co-doped with Ga3þinto LLZO,respectively,to study the effect of doping ion radius on crystal structures and the properties of electrolytes.The characterization results demonstrate that the easier Liþtransport and higher ionic conductivity can be obtained when the electrolyte is doped with larger-radius ions.As a result,the assembled thermal battery with Ga_(0.32)Ba_(0.15)-LLZO electrolyte exhibits a remarkable voltage platform of 1.81 V and a high specific capacity of 455.65 mA h g^(-1) at an elevated temperature of 525℃.The discharge specific capacity of the thermal cell at 500 mA amounts to 63%of that at 100 mA,showcasing exceptional high-current discharging performance.When assembled as prototypes with fourteen single cells connected in series,the thermal batteries deliver an activation time of 38 ms and a discharge time of 32 s with the current density of 100 mA cm^(-2).These findings suggest that Ga,Ba co-doped LLZO solid-state electrolytes with high ionic conductivities holds great potential for high-capacity,quick-initiating and high-current discharging thermal batteries. 展开更多
关键词 Element doping Thermal battery Solid electrolyte LLZO Ionic conductivity
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Infrared emissivity of transition elements doped ZnO
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作者 姚银华 曹全喜 《Journal of Central South University》 SCIE EI CAS 2013年第3期592-598,共7页
Infrared emissivity was studied in Zno.99Mo.olO (M is Mn, Fe or Ni) and Znl_xCoxO (x=0.01, 0.02, 0.03 and 0.04) powders synthesized by solid-state reaction at various temperatures. XRD patterns confirm the wurtzit... Infrared emissivity was studied in Zno.99Mo.olO (M is Mn, Fe or Ni) and Znl_xCoxO (x=0.01, 0.02, 0.03 and 0.04) powders synthesized by solid-state reaction at various temperatures. XRD patterns confirm the wurtzite structure of the prepared samples. No peaks of other phases arising from impurities are detected in Mn- and Co-doped ZnO, hut the peaks of ZnFe204 and NiO are observed in Zno.99Feo.010 and Zno.99Nio.o10. The SEM observations indicate that with larger grain sizes than those of Zn0.99Feo.010 and Zno.99Ni0.010, Co-doped ZnO exhibits smooth grain surfaces. The infrared absorption spectra show that infrared absorptions related to oxygen in Zn0.99M0.010 are much stronger than those in Co-doped ZnO. Co ions are dissolved into the ZnO lattice with Co2+ state from XPS spectra analysis. The infrared emissivity results imply that the emissivity of Zno.99Ni0.010 is the highest (0.829) and that of Zno.99C00.010 is the lowest (0.784) at 1 200 ℃. The emissivity of Zno.99Co0.010 decreases to the minimum (0.752) at 1 150 ℃ and then increases with growing calcination temperature. As the Co doping content grows, the emissivity of Co-doped ZnO calcined at 1 200 ℃ falls to 0.758 in the molar fraction of 3% and then ascends. 展开更多
关键词 solid-state reaction transition element doping infrared absorption spectrum infrared emissivity
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Appreciable Enhancement of Photocatalytic Performance for N-doped SrMoO_(4) via the Vapor-thermal Method
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作者 恽志强 戴振翔 +1 位作者 ZHU Liwei ZHENG Ganhong 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第1期24-31,共8页
A series of nitrogen-doped SrMoO_(4) with different Sr/N mole ratio (R=0,0.05,0.10,0.15,0.20,0.40,and 0.60) were synthesized using urea as the N source via the vapor-thermal method.The photocatalytic degradation abili... A series of nitrogen-doped SrMoO_(4) with different Sr/N mole ratio (R=0,0.05,0.10,0.15,0.20,0.40,and 0.60) were synthesized using urea as the N source via the vapor-thermal method.The photocatalytic degradation ability of all samples was evaluated using methylene blue (MB) as a target contaminant.The band gaps of N-doped samples are all higher than that of pristine ones,which is only 3.12 eV.BET specific surface area S_(BET) and pore volume are increased due to the N doping.And the greater increase of S_(BET),the faster the photodegradation speed of methylene blue on SrMoO_(4).More specifically,the degradation efficiency of MB is improved up to 87%in 100 min. 展开更多
关键词 SrMoO_(4) photocatalytic property nitrogen element doping
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Fabrication of niobium doped titanate nanoflakes with enhanced visible-light-driven photocatalytic activity for efficient ibuprofen degradation 被引量:4
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作者 Wen Liu Wei Zhang +4 位作者 Mushi Liu Penghui Du Chenyuan Dang Jialiang Liang Yunyi Li 《Chinese Chemical Letters》 SCIE CAS CSCD 2019年第12期2177-2180,共4页
In this study,a novel class of niobium(Nb) doped titanate nanoflakes(TNFs) are fabricated through a onestep hydrothermal method.Nb doping affects the curving of titanate nanosheet,leading to the formation of nanoflake... In this study,a novel class of niobium(Nb) doped titanate nanoflakes(TNFs) are fabricated through a onestep hydrothermal method.Nb doping affects the curving of titanate nanosheet,leading to the formation of nanoflake structure.In addition,Nb5+ filled in the interlayers of [TiO6] alters the light adsorption property of pristine titanate.The band gap of Nb-TNFs is narrowed to 2.85 eV,while neat titanate nano tubes(TNTs) is 3.4 eV.The enhanced visible light adsorption significantly enhances the visible-lightdriven activity of Nb-TNFs for ibuprofen(IBP) degradation.The pseudo-first order kinetics constant for Nb-TNFs is calculated to be 1.04 h^-1,while no obvious removal is observed for TNTs.Photo-generated holes(h^+) and hydroxyl radicals(·OH) are responsible for IBP degradation.The photocatalytic activity of Nb-TNFs depends on pH condition,and the optimal pH value is found to be 5.In addition,Nb-TNFs exhibited superior photo-stability during the reuse cycles.The results demonstrated Nb-TNFs are very promising in photocatalytic water purification. 展开更多
关键词 TITANATE NIOBIUM Photocatalysis Element doping IBUPROFEN
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Template-free preparation of non-metal(B,P,S)doped g-C_(3)N_(4)tubes with enhanced photocatalytic H_(2)O_(2)generation 被引量:9
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作者 Yuanyuan Liu Yanmei Zheng +7 位作者 Weijie Zhang Zhengbin Peng Hang Xie Yi Xuan Wang Xinli Guo Ming Zhang Rui Li Ying Huang 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2021年第36期127-135,共9页
Developing environmentally friendly methods to produce hydrogen peroxide(H_(2)O_(2))has received increasing attention.Photocatalysis has been proved to be a sustainable technology for H_(2)O_(2)production.Herein,the n... Developing environmentally friendly methods to produce hydrogen peroxide(H_(2)O_(2))has received increasing attention.Photocatalysis has been proved to be a sustainable technology for H_(2)O_(2)production.Herein,the novel non-metal elements(B,P,and S)doped g-C_(3)N_(4)tubes(B-CNT,P-CNT,and S-CNT)photocatalysts were obtained via a hydrothermal synthesis followed by thermal polymerization.By adjusting the precursor,the yield of g-C_(3)N_(4)tubes(CNT)materials has been greatly improved.The as-prepared B-CNT,P-CNT,and S-CNT photocatalysts show an enhanced photocatalytic H_(2)O_(2)production with the formation rate constants values of 42.31μM min^(-1),24.95μM min^(-1),and 24.22μM min^(-1),respectively,which is higher than that of bulk CN(16.40μM min^(-1)).The doped B,P,S elements significantly enhanced the photocatalytic activity by adjusting their electronic structures and promoting the separation of electronhole carriers.The results have shown great potential for the practical application of CNT photocatalysts. 展开更多
关键词 Template-free preparation High yield g-C_(3)N_(4)tube(CNT) Non-metal elements doping Photocatalytic H_(2)O_(2)production
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A Fundamental DFT Study of Anatase(TiO2) Doped with 3d Transition Metals for High Photocatalytic Activities 被引量:2
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作者 刘晓烨 李育彪 +1 位作者 WEI Zhenlun SHI Ling 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2018年第2期403-408,共6页
Anatase(TiO_2) has been widely used in photocatalysis. However, it can only absorb near-ultraviolet light with a wavelength below approximately 388 nm due to a wide band gap. Therefore a modification should be made ... Anatase(TiO_2) has been widely used in photocatalysis. However, it can only absorb near-ultraviolet light with a wavelength below approximately 388 nm due to a wide band gap. Therefore a modification should be made for anatase to increase its capability in utilizing more abundant visible light. We investigated the doped anatase with the most promising 3d transition metal elements, and the results showed that the visible light absorption intensity was increased significantly due to the reduced band gap and the cavitation effects. As compared to other 3d transition metals, Cu was found to be the most effective one in improving anatase photocatalytic effects. In addition, greater Cu concentration doped in the anatase increased the photocatalysis effects but reduced the anatase stability, therefore, an optimized Cu concentration should be considered to optimize the anatase photocatalysis activity. 展开更多
关键词 anatase doping transition metal elements DFT
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The Influence of Alkaline Earth Elements on Electronic Properties ofα-Si3N4 via DFT Calculation
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作者 ZHANG Jianwen HUANG Zhifeng +3 位作者 YIN Ziqian LI Meijuan CHEN Fei SHEN Qiang 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2020年第5期863-871,共9页
We used density functional theory(DFT)calculations to study the influence of alkali earth metal element(AE)doping on the crystal structure and electronic band structure ofα-Si3N4.The diversity of atomic radii of alka... We used density functional theory(DFT)calculations to study the influence of alkali earth metal element(AE)doping on the crystal structure and electronic band structure ofα-Si3N4.The diversity of atomic radii of alkaline earth metal elements results in structural expansion when they were doped into theα-Si3N4 lattice.Formation energies of the doped structures indicate that dopants prefer to occupy the interstitial site under the nitrogen-deficient environment,while substitute Si under the nitrogen-rich environment,which provides a guide to synthesizingα-Si3N4 with different doping types by controlling nitrogen conditions.For electronic structures,energy levels of the dopants appear in the bottom of the conduction band or the top of the valence band or the forbidden band,which reduces the bandgap ofα-Si3N4. 展开更多
关键词 FIRST-PRINCIPLES density functional theory calculations alkaline earth elements dopedα-Si3N4 photoluminescence material crystal structure electronic structure
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Defect engineering in transition-metal(Fe,Co,andNi)-based electrocatalysts for water splitting 被引量:1
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作者 Kaili Wu Chaojie Lyu +5 位作者 Jiarun Cheng Weifan Ding Jiwen Wu Qian Wang Woon-Ming Lau Jinlong Zheng 《Carbon Energy》 SCIE EI CAS CSCD 2024年第6期165-199,共35页
Electrocatalytic water splitting seems to be an efficient strategy to deal with increasingly serious environmental problems and energy crises but still suffers from the lack of stable and efficient electrocatalysts.De... Electrocatalytic water splitting seems to be an efficient strategy to deal with increasingly serious environmental problems and energy crises but still suffers from the lack of stable and efficient electrocatalysts.Designing practical electrocatalysts by introducing defect engineering,such as hybrid structure,surface vacancies,functional modification,and structural distortions,is proven to be a dependable solution for fabricating electrocatalysts with high catalytic activities,robust stability,and good practicability.This review is an overview of some relevant reports about the effects of defect engineering on the electrocatalytic water splitting performance of electrocatalysts.In detail,the types of defects,the preparation and characterization methods,and catalytic performances of electrocatalysts are presented,emphasizing the effects of the introduced defects on the electronic structures of electrocatalysts and the optimization of the intermediates'adsorption energy throughout the review.Finally,the existing challenges and personal perspectives of possible strategies for enhancing the catalytic performances of electrocatalysts are proposed.An in-depth understanding of the effects of defect engineering on the catalytic performance of electrocatalysts will light the way to design high-efficiency electrocatalysts for water splitting and other possible applications. 展开更多
关键词 defect engineering electrocatalytic water splitting element doping interfacial engineering VACANCY
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Robust tantalum tuned perovskite oxygen electrode for reversible protonic ceramic electrochemical cells 被引量:1
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作者 Yu-Shi Feng Yu Shen +5 位作者 Fang Wang Chuan Tian Qin-Yi Hu Qian Duan Jing-Wei Li Di Bao 《Rare Metals》 SCIE EI CAS CSCD 2024年第7期3055-3065,共11页
Perovskite oxides with diverse composition and structure have exhibited grand advances in boosting the oxygen reduction and evolution reaction(ORR/OER),which are essential for the reversible protonic ceramic electroch... Perovskite oxides with diverse composition and structure have exhibited grand advances in boosting the oxygen reduction and evolution reaction(ORR/OER),which are essential for the reversible protonic ceramic electrochemical cell(R-PCEC)toward the sustainable hydrogen production and utilization.However,enhancement of their activity and stability remains challenging.Herein,we develop the Ta-regulated BaCo_(0.7)Fe_(0.3)O_(3-δ)perovskite oxygen electrode(Ba(Co_(0.7)Fe_(0.3))_(1-x)Ta_xO_(3-δ))with abundant oxygen defects and achieve the simultaneous enhancement in the electrocatalytic activity and stability toward ORR and OER.As-fabricated R-PCEC with(Ba(Co_(0.7)Fe_(0.3))_(0.9)Ta_(0.1)O_(3-δ))(BCFT10)oxygen electrode performs high power density of 1.47 W·cm^(-2)at 650℃in fuel cell mode,and the current density is up to-2.11 A·cm^(-2)at 1.4 V at 650℃in electrolysis mode,as well as the good stability in both the fuel cell and electrolysis modes.Importantly,the cell also demonstrates a stable cycling operation between fuel cell and electrolysis mode,suggesting a great potential of BCFT10 as oxygen electrode material for R-PCECs. 展开更多
关键词 Reversible protonic ceramic electrochemical cells Perovskite oxide Oxygen electrode Ta element doping Oxygen defects
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Two positive effects with one arrow:Modulating crystal and interfacial decoration towards high-potential cathode material
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作者 Xuexiu Gu Xuan-Wen Gao +5 位作者 Dongrun Yang Qinfen Gu YSong Hong Chen Tianzhen Ren Wen-Bin Luo 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期216-223,共8页
As the primary suppliers of cyclable sodium ions,O3-type layer-structured manganese-based oxides are recognized as highly competitive cathode candidates for sodium-ion batteries.To advance the development of high-ener... As the primary suppliers of cyclable sodium ions,O3-type layer-structured manganese-based oxides are recognized as highly competitive cathode candidates for sodium-ion batteries.To advance the development of high-energy sodium-ion batteries,it is crucial to explore cathode materials operating at high voltages while maintaining a stable cycling behavior.The orbital and electronic structure of the octahedral center metal element plays a crucial role in maintaining the octahedra structural integrity and improving Na^(+)ion diffusion by introducing heterogeneous chemical bonding.Inspired by the abundant configuration of extra nuclear electrons and large ion radius,we employed trace amounts of tungsten in this study.The obtained cathode material can promote the reversibility of oxygen redox reactions in the high-voltage region and inhibit the loss of lattice oxygen.Additionally,the formation of a Na_(2)WO_(4) coating on the material surface can improve the interfacial stability and interface ions diffusion.It demonstrates an initial Coulombic efficiency(ICE)of 94.6%along with 168.5 mA h g^(-1 )discharge capacity within the voltage range of 1.9-4.35 V.These findings contribute to the advancement of high-energy sodium-ion batteries by providing insights into the benefits of tungsten doping and Na_(2)WO_(4) coating on cathode materials. 展开更多
关键词 Sodium ion battery Layer-structured manganese-based oxides Cathodematerial Surface modification elements doping
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Improving the structure and cycling stability of Ni-rich cathodes by dual modification
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作者 ZHU Zhen-hua XU Shi-jie +3 位作者 ZHANG Qiang-feng ZHU Hai-peng MEI Lin ZHANG Chun-xiao 《Journal of Central South University》 CSCD 2024年第12期4460-4471,共12页
The irreversible phase transition and interface side reactions during the cycling process severely limit the large scale application of nickel-rich layered oxides Li[Ni_(x)Co_(y)Mn_(1−x−y)]O_(2)(NCM,x>0.8).Herein,w... The irreversible phase transition and interface side reactions during the cycling process severely limit the large scale application of nickel-rich layered oxides Li[Ni_(x)Co_(y)Mn_(1−x−y)]O_(2)(NCM,x>0.8).Herein,we have designed LiNi_(0.8)Co_(0.1)Mn 0.1 O_(2)cathodes modified by Nb/Al co-doping and LiNbO_(3)/LiAlO_(2)composite coating.Detailed characterization reveals that Nb/Al co-doping can stabilize the crystal structure of the cathodes and expand the layer spacing of the layered lattice,thereby increasing the diffusion rate and reversibility of Li^(+).And the composite coatings can improve the electrochemical kinetic and inhibit the erosion of acidic substances by hindering direct contact between the cathodes and electrolyte.As a result,the Ni-rich cathodes with dual modification can still exhibit a higher capacity of 184.02 mA·h/g after 100 cycles with a capacity retention of up to 98.1%,and can still release a capacity of 161.6 mA·h/g at a high rate of 7 C,meanwhile,it shows excellent thermal stability compared to bare NCM.This work provides a new perspective for enhancing electrochemical properties of cathodes through integrated strategies. 展开更多
关键词 Ni-rich layered cathode dual element doping composite coating structural stability electrochemical performance
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Interface and doping engineering of V_(2)C-MXene-based electrocatalysts for enhanced electrocatalysis of overall water splitting
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作者 Yousen Wu Jinlong Li +5 位作者 Guozhe Sui Dong-Feng Chai Yue Li Dongxuan Guo Dawei Chu Kun Liang 《Carbon Energy》 CSCD 2024年第10期209-224,共16页
The restacking and oxidizable nature of vanadium-based carbon/nitride(V_(2)C-MXene)poses a significant challenge.Herein,tellurium(Te)-doped V_(2)C/V_(2)O_(3) electrocatalyst is constructed via mild H_(2)O_(2) oxidatio... The restacking and oxidizable nature of vanadium-based carbon/nitride(V_(2)C-MXene)poses a significant challenge.Herein,tellurium(Te)-doped V_(2)C/V_(2)O_(3) electrocatalyst is constructed via mild H_(2)O_(2) oxidation and calcination treatments.Especially,this work rationally exploits the inherent easy oxidation characteristic associated with MXene to alter the interfacial information,thereby obtaining stable self-generated vanadium-based heterointerfaces.Meanwhile,the microetching effect of H_(2)O_(2) creates numerous pores to address the restacking issues.Besides,Te element doping settles the issue of awkward levels of absorption/desorption ability of intermediates.The electrocatalyst obtains an unparalleled hydrogen evolution reaction and oxygen evolution reaction with the overpotential of 83.5 and 279.8 mV at−10 and 10 mA cm^(−2),respectively.In addition,the overall water-splitting device demonstrates a low cell voltage of 1.41 V to obtain 10 mA cm^(−2).Overall,the inherent drawbacks of MXene can be turned into benefits based on the planning strategy to create these electrocatalysts with desirable reaction kinetics. 展开更多
关键词 heterointerfaces microetching effect overall water splitting tellurium element doping V_(2)C
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Stable geometries and magnetic properties in transition-metaldoped Sm_(5)Co_(19) permanent magnet alloys:Insights from DFT
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作者 Cheng Fang Zhi Yan +3 位作者 Xu-Jin Zhang Jian-Hua Xiao Fang Wang Xiao-Hong Xu 《Science China(Physics,Mechanics & Astronomy)》 2025年第4期219-227,共9页
Sm_(5)Co_(19) permanent magnet alloy holds significant potential for applications due to its ultra-high intrinsic coercivity,low temperature coefficient of coercivity and high Curie temperature.However,its metastable ... Sm_(5)Co_(19) permanent magnet alloy holds significant potential for applications due to its ultra-high intrinsic coercivity,low temperature coefficient of coercivity and high Curie temperature.However,its metastable nature poses challenges for experimental synthesis.Here we propose to use transition metal doping to effectively improve the structural stability and comprehensive magnetic properties of Sm_(5)Co_(19) based on first-principles calculations.We find that Sc,Ti,V,Cr,Mn,and Zr preferentially occupy the Sm-6c2 site,while Fe,Ni,Cu,and Zn preferentially occupy the Co-6c2,Co-18h1,Co-18h2,and Co-18h2 site,respectively.Additionally,doping elements at their optimal sites significantly enhance the structural stability of the doped system.Whether substituting Sm or Co sites,doping with Cr,Mn,and Fe significantly increases the total magnetic moment of the Sm_5Co_(19) system.Within the number of doping atoms range from 0 to 12,doping with Cr,Mn,and Fe enhances both the structural stability and the total magnetic moment of the Sm_(5)Co_(19) system,further confirming the significant impact of atomic site occupation on the performance of the doped system.This study presents a feasible approach for enhancing the structural stability of Sm_(5)Co_(19) permanent magnets and offers valuable theoretical guidance for the development of highperformance Sm-Co based permanent magnet materials. 展开更多
关键词 element doping structural stability magnetic properties first-principles calculation Sm5Co19permanent magnet alloys
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Tunable anomalous Hall effect and anisotropic magnetism in In-doped TbMn_(6)Sn_(6) kagome magnets
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作者 Detong Wu Jianwei Qin Bing Shen 《Chinese Physics B》 2025年第10期529-533,共5页
Kagome magnets Tb Mn_(6)Sn_(6-x)In_(x)(x=0-1.2)exhibit a robust anomalous Hall effect(AHE)that persists above room temperature,demonstrating significant potential for high-temperature spintronics applications.At eleva... Kagome magnets Tb Mn_(6)Sn_(6-x)In_(x)(x=0-1.2)exhibit a robust anomalous Hall effect(AHE)that persists above room temperature,demonstrating significant potential for high-temperature spintronics applications.At elevated temperatures,a spin-reorientation transition induces a ferrimagnetic state(FIM1)with in-plane magnetic moments,accompanied by a nonmonotonic Hall response that differs markedly from the low-temperature behavior.Upon indium doping,the long-range ferrimagnetic transition is progressively suppressed to lower temperatures,along with a noticeable reduction in magnetic anisotropy.Interestingly,at a doping level of x=1.2,the FIM1 state observed in the parent compound is completely eliminated.These systematic changes in magnetic ordering and transport properties underscore a coherent evolution of the electronic and magnetic states with doping,offering critical insights into the interplay among lattice structure,magnetism,and electronic behavior in kagome lattices. 展开更多
关键词 anomalous Hall effect magnetic properties ferrimagnetism nonmagnetic element doping
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Aqueous-solution-driven HfGdO_x gate dielectrics for low-voltage-operated α-InGaZnO transistors and inverter circuits 被引量:4
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作者 Yongchun Zhang Gang He +3 位作者 Wenhao Wang Bing Yang Chong Zhang Yufeng Xia 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2020年第15期1-12,共12页
In this work,a non-toxic and environmentally friendly aqueous-solution-based method has been adopted to prepare gadolinium-doped hafnium oxide(HfO2) gate dielectric thin films.By adjusting the gadolinium(Gd) doping co... In this work,a non-toxic and environmentally friendly aqueous-solution-based method has been adopted to prepare gadolinium-doped hafnium oxide(HfO2) gate dielectric thin films.By adjusting the gadolinium(Gd) doping concentration,the oxygen vacancy content,band offset,interface trap density,and dielectric constant of HfGdOx(HGO) thin films have been optimized.Results have confirmed that HGO thin films with Gd doping ratio of 15 at.% have demonstrated appropriate dielectric constant of 27.1 and lower leakage current density of 5.8×10-9 A cm-2.Amorphous indium-gallium-zinc oxide(α-IGZO) thin film transistors(TFTs) based on HGO thin film(Gd:15 at.%) as gate dielectric layer have exhibited excellent electrical performance,such as larger saturated carrier mobility(μsat) of 20.1 cm2 V-1 S-1,high on/off current ratio(Ion/Ioff) of ~108,smaller sub-threshold swing(SS) of 0.07 V decade-1,and a negligible threshold voltage shift(ΔVTH) of 0.08 V under positive bias stress(PBS) for 7200 s.To confirm its potential application in logic circuit,a resistor-loaded inverter based on HGO/α-IGZO TFTs has been constructed.A high voltage gain of 19.8 and stable full swing characteristics have been detected.As a result,it can be concluded that aqueous-solution-driven HGO dielectrics have potential application in high resolution flat panel displays and ultra-large-scale integrated logic circuits. 展开更多
关键词 Aqueous-solution-driven Low-voltage-operating HfGdOx gate dielectrics Rare earth element doping α-IGZO TFTs
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Modified g-C_(3)N_(4) derived from ionic liquid and urea for promoting visible-light photodegradation of organic pollutants 被引量:3
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作者 Hongbing Song Lei Liu +6 位作者 Bingxiao Feng Haozhong Wang Meng Xiao Hengjun Gai Yubao Tang Xiaofei Qu Tingting Huang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2021年第12期293-303,共11页
In this work,modified g-C_(3)N_(4) was fabricated successfully by calcination of ionic liquid(IL) and urea.The addition of IL changed the polymerization mode of urea,induced the self-assembly of urea molecules,modifie... In this work,modified g-C_(3)N_(4) was fabricated successfully by calcination of ionic liquid(IL) and urea.The addition of IL changed the polymerization mode of urea,induced the self-assembly of urea molecules,modified the morphological structure of the tightly packed g-C_(3)N_(4),and extended the electron conjugation system.When using 1-butyl-3-methylimidazolium chloride([Bmim]Cl) as a modifier,the heteroatom Cl could be inserted into the g-C_(3)N_(4) to optimize the electronic structure.The results of characterizations indicate that the unique structure of modified g-C_(3)N_(4) has an expanded electron delocalization range,introduces an interlayer charge transmission channel,promotes the charge transmission,reduces the band gap,enhances the absorption of visible light,and inhibits electron-hole recombination.Modified g-C_(3)N_(4) showed excellent photocatalytic performance for the degradation of rhodamine B and tetracycline.Furthermore,the effect of different anions in 1-butyl-3-methylimidazolium salts([Bmim]Cl,[Bmim]Br,[Bmim][BF_(4)],and [Bmim][PF_6]) on the structure and function of g-C_(3) N_(4) are discussed. 展开更多
关键词 Graphite carbon nitride Ionic liquid PHOTOCATALYSTS Element doping Organic pollutants
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Transition metal carbonate anodes for Li-ion battery: fundamentals,synthesis and modification 被引量:3
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作者 Rui Zhang Qingfeng Fu +6 位作者 Peng Gao Wang Zhou Hui Liu Chaohe Xu Jian-Fang Wu Chuanjun Tu Jilei Liu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第7期95-120,I0004,共27页
Even though transition metal carbonates(TMCs, TM = Fe, Mn, Co, Ni etc.), show high theoretical capacities, rich reserves and environmental friendliness as anodes for lithium-ion batteries(LIBs), they suffer from slugg... Even though transition metal carbonates(TMCs, TM = Fe, Mn, Co, Ni etc.), show high theoretical capacities, rich reserves and environmental friendliness as anodes for lithium-ion batteries(LIBs), they suffer from sluggish electronic/ionic conductivities and huge volume variation, which severely deteriorate the rate capacities and cycling performances. Understanding the intrinsic reaction mechanism and further developing ideal TMC-based anode with high specific capacity, excellent rate capabilities, and longterm cycling stability are critical for the practical application of TMCs. In this review, we firstly focus on the fundamental electrochemical energy-storage mechanisms of TMCs, in terms of conversionreaction process, pseudocapacitance-type charge storage, valence change for charge storage and catalytic conversion mechanisms. Based on the reaction mechanisms, various modification strategies to improve the electrochemical performance of TMCs are summarized, covering:(i) micro-nano structural engineering, in which the influence factors on the morphology are discussed, and multiple architectures are listed;(ii) elemental doping, in which the intrinsic mechanisms of metal/nonmetal elements doping on the electrochemical performance are deeply explored;(iii) multifunctional compositing strategies, in which the specific affections on structure, electronic conductivity and chemo-mechanical stability are summarized.Finally, the key challenges and opportunities to develop high-performance TMCs are discussed and some solutions are also proposed. This timely review sheds light on the path towards achieving cost-effective and safe LIBs with high energy density and long cycling life using TMCs-based anode materials. 展开更多
关键词 Transition metal carbonates Electrochemical reaction mechanism Micro-nano structure engineering Elemental doping Multifunctional compositing
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Fluorescence and cofluorescence enhancement of Tb(Ⅲ) complexes with pyromellitic acid by M (M = Gd, La, Ca, and Sr ions) 被引量:1
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作者 WANGZhengxiang CHENHong +2 位作者 SHUWangen ZHAODongbai ZHOUZhongcheng 《Rare Metals》 SCIE EI CAS CSCD 2004年第1期32-37,共6页
Fluorescence and cofluorescence properties of Tb(Ⅲ) solid complexes werestudied using pyromellitic acid (PMA) as ligand and fluorescence inert ions as doping elements. Thecofluorescence enhancement, a result of ligan... Fluorescence and cofluorescence properties of Tb(Ⅲ) solid complexes werestudied using pyromellitic acid (PMA) as ligand and fluorescence inert ions as doping elements. Thecofluorescence enhancement, a result of ligand sensitized fluorescence, was observed in Tb(Ⅲ) solidcomplexes doped with fluorescent inert ions La(Ⅲ), Gd(Ⅲ), Ca(Ⅲ), and Sr(Ⅲ). The effect of thetype and content of doping elements on fluorescence enhancement was studied, and optimum conditionswere determined. The results show that Gd (La, Ca, Sr) has clear cofluorescence effect in solidcomplex Tb-M-PMA system, and in present work, rare earth complex fluorescent powder that emitsbright green fluorescence at ultraviolet excitation was obtained, which had potential application asfluorescent anti-counterfeit ink. 展开更多
关键词 fluorescence enhancement COFLUORESCENCE doping elements TERBIUM pyromellitic acid
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