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Chinese Journal of Chemistry 2017年第6期35卷 896-902页

作者： Jianbin Wang Qing Zhao Jun Chen Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) College of Chemistry Nankai University Tian/in 300071 China Collaborative Innovation Center of Chemical Science and Engineering Nankai University Tianjin 300071 China

Substantial effort has been made to search for electrode materials of na-ion batteries with high energy/power density. The application of S-saturated zigzag MoS2 nanoribbons （MoSzNRs） for na-ion batteries has been explored through density function theory （DFT）. The theoretical maximum specific capacity reaches 386.4 mAh,g t via dou- ble-side and special edge adsorption mode. The electronic structure reveals that there exists charge transfer between na and MoS2NRs. The diffusion barrier on MoS2NRs （0.17 eV） is much lower than that of bulk MoS2 （1.15 eV）, indicating an excellent diffusion kinetics, in addition, the S-edge in MoS2NRs plays a key role. Firstly, the Mo edge was half saturated by S, which helps to stabilize the MoS2NRs as well as offer more intercalation sites for na. On the other hand, na migrates much faster on the S edge route in MoS2NRs. Our computational results show that S-saturated MoSzNRs exhibit a great potential as electrode materials for na-ion batteries with high performance.

关键词： MoS2 nanoribbons na-ion battery S-saturated edge effect density function theory

Interwoven scaffolded porous titanium oxide nanocubes/carbon nanotubes framework for high-performance sodium-ion battery

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Journal of Energy Chemistry 2021年第8期30卷 38-46,I0002页

作者： Wen-Bei Yu Wen-Da Dong Chao-Fan Li nasiruddin Macadam Jiu-Xiang Yang Guo-Bin Zhang Zhi-Yi Hu Tien-Chun Wu Yu Li Tawfique Hasan Li-Hua Chen Li-Qiang Mai Bao-Lian Su State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Cambridge Graphene Centre University of Cambridge9 JJ Thomson AvenueCB30FA CambridgeUnited Kingdom nanostructure Research Centre(NRC) Wuhan University of TechnologyWuhan 430070China Laboratory of Inorganic Materials Chemistry(CMI) University of Namur61 rue de Bruxelles5000 NamurBelgium

Supercapacitor-like na-ion batteries have attracted much attention due to the high energy density of batteries and power density of *** dioxide(TiO_(2)),is a promising anode *** performance is however seriously hindered by its low electrical conductivity and the sluggish diffusion of sodium ions(na^(+))in the TiO_(2)***,this work combines porous TiO_(2)nanocubes with carbon nanotubes(CNTs)to enhance the electrical conductivity and accelerate na^(+)diffusivity for na-ion batteries(NIBs).In this composite,an interwoven scaffolded TiO_(2)/CNTs framework is formed to provide abundant channels and shorter diffusion pathways for electrons and *** in-situ X-ray diffraction and cyclic voltammetry confirm the low strain and superior transport kinetics in na^(+)intercalation/extraction *** addition,the chemically bonded TiO_(2)/CNTs hybrid provides a more feasible channel for na^(+)insertion/extraction with a much lower energy ***,the TiO_(2)/CNTs composite exhibits excellent electrochemical performance with a capacity of 223.4 m Ah g^(-1)at 1 C and a capacity of 142.8 m Ah g^(-1)at 10 C(3.35 A g^(-1)).The work here reveals that the combination of active materials with CNTs can largely improve the utilization efficiency and enhance their sodium storage.

关键词： Supercapacitor-like Interwoven scaffold na-ion battery TiO_(2) Carbon nanotubes

Tailoring interphase structure to enable high-rate, durable sodium-ion battery cathode

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Journal of Energy Chemistry 2022年第5期31卷 564-571页

作者： na Li Shaofei Wang Enyue Zhao Wen Yin Zhigang Zhang Kang Wu Juping Xu Yoshihiro Kuroiwa Zhongbo Hu Fangwei Wang Jinkui Zhao Xiaoling Xiao College of Materials Science and Opto-electronic Technology Center of Materials Science and Optoelectronics EngineeringUniversity of Chinese Academy of SciencesBeijing 100049China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Spallation Neutron Source Science Center Dongguan 523803GuangdongChina Songshan Lake Materials Laboratory Dongguan 523808GuangdongChina Department of Physical Science Hiroshima UniversityHigashihiroshimaHiroshima 739-8526Japan Beijing national Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China

na-based layered transition metal oxides with O_(3)-type structure have been considered to be promising cathodes for na-ion batteries. However, the intrinsically limited na-ion conductivity induced by the Otype na-coordinate environment compromises their rate and cycle capability, hindering their practical application. Here, we report an interphase-structure tailoring strategy that improves the electrochemical properties of O_(3)-type layered cathodes achieved through surface coating and doping ***, a Zr-doped interphase structure is designed in the model compound naNi_(1/3)Mn_(1/3)Fe_(1/3)O_(2) using the ionic conductor na_(3)Zr_(2)Si_(2)PO_(12) as the surface coating material and Zr-dopant provider. We discover that the modified naNi_(1/3)Mn_(1/3)Fe_(1/3)O_(2)cathode shows a stable na-storage structure as well as an enhanced rate/cycle capability. Combined with theoretical calculations, it is suggested that the superior electrochemical performances originate from the Zr-doped interphase structure, which has an enlarged na layer spacing that forms favorable na-ion diffusion channels. This work highlights a general material interface optimization method which opens a new perspective for fabricating high-performance electrodes for na-ion batteries and beyond.

关键词： na-ion battery naNi_(1/3)Mn_(1/3)Fe_(1/3)O_(2)cathode Interphase structure Zr doping Surface interface modification

Toward superior lithium/sodium storage performance: design and construction of novel TiO_(2)-based anode materials

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Rare Metals 2021年第11期40卷 3049-3075页

作者： Pan-Pan Peng Yu-Rong Wu Xue-Zhong Li Jun-Hong Zhang Yan-Wei Li Ping Cui Ting-Feng Yi School of Materials Science and Engineering Northeastern UniversityShenyang 110819China School of Chemistry and Chemical Engineering Anhui University of TechnologyMaanshan 243002China Shandong Provincial Key Laboratory of Chemical Energy Storage and Novel Cell Technology College of Chemistry and Chemical EngineeringLiaocheng UniversityLiaocheng 252059China Department of Materials Science and Engineering University of WashingtonSeattleWA 98195USA Guangxi Key Laboratory of Electrochemical and Magneto-Chemical Function Materials College of Chemistry and BioengineeringGuilin University of TechnologyGuilin 541004China

TiO_(2)-based materials have been considered as one of most promising alternatives for high-performance Li(na)-ion batteries because of the low cost,simple composition,easy synthesis,good environmental protection,excellent safety and relatively high specific ***,the inferior electronic conductivity and poor ion diffusion coefficients are the biggest bottlenecks that restrict the popular *** effort has been focused on resolving these problems toward large-scale applications,and numerous significant advances have been *** the present work,a comprehensive overview of structure characteristics,electrochemical reaction mechanism and modification strategies of TiO_(2)-based materials was *** recent advances of various efficient ways for improving conductivity,Li(na)storage capacity,rate capability and cycle stability are systematically summarized,including surface engineering,constructing composite and element doping,*** TiO_(2)-based materials with novel porous heterogeneous core-shell structures have been regarded as one of the most effective ways to resolve these ***,the future research directions and development prospects of TiO_(2)-based anode materials used in the manufacture of high-performance Li(na)-ion batteries are *** review can provide important comprehension for the construction and optimization of highperformance of TiO_(2)-based anode materials.

关键词： TiO_(2) Anode material Li-ion battery na-ion battery Electrochemical performance

Hollow carbon microbox from acetylacetone as anode material for sodium-ion batteries

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Journal of Energy Chemistry 2020年第12期29卷 293-302页

作者： Tianyun Qiu Wanwan Hong Lin Li Yu Zhang Peng Cai Cheng Liu Jiayang Li Guoqiang Zou Hongshuai Hou Xiaobo Ji Hunan Province Key Laboratory of Chemical Power Source.State Key Laboratory of Powder Metallurgy College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083HunanChina

Carbon-based materials have attracted much interest as one of the promising anodes for sodium-ion batteries. However, low utilization of electrolyte and slow ion-transfer rate during electrochemical process hinder the further application of traditional bulk carbon. In order to enhance the diffusion kinetics and maintain the reversibility, hierarchical hollow carbon microbox was successfully prepared through a tunable bottom-up self-template routine for sodium-ion batteries. During annealing process, the morphology construction and activation happened synchronously. Based on that, a range of cross-linked porous nanosheet and hollow microbox were attained by manipulating reactant condition. The generation of texture and physical property are analyzed and are established linkages related to the electrochemical behavior. As results depicted in kinetic exploration and simulation based on cyclic voltammetry, the surfacecontrolled electrochemical behavior gradually turns to be the diffusion-controlled behavior as the hollow microbox evolves to porous nanosheet. The probable reason is that the rational microstructure/texture design leads to the accelerated diffusion kinetic procedure and the reduced concentration difference polarization. Sodium storage mechanism was deduced as reversible binding of na-ions with local defects,including vacancies on sp2 graphitic layers, at the edges of flakes and other structural defects instead of intercalation. Bestowed by the morphology design, the broad pore width distribution, abundant defects/active sites and surface functionality, hollow microbox electrode delivers great electrochemical performances. This work is expected to propose a novel and effective strategy to prepare tunable hierarchical hollow carbon microbox and induce the fast kinetic of carbon anode material.

关键词： na-ion battery Carbon anode Hollow carbon Sodium storage Electrochemistry

ionic covalent organic frameworks with tailored anionic redox chemistry and selective ion transport for high-performance na-ion cathodes

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Journal of Energy Chemistry 2022年第12期75卷 441-447,I0012页

作者： Zhongqiu Tong Hui Wang Tianxing Kang Yan Wu Zhiqiang Guan Fan Zhang Yongbing Tang Chun-Sing Lee Faculty of Metallurgical and Energy Engineering Kunming University of Science and TechnologyKunming 650093YunnanChina Department of Chemistry City University of Hong KongHong Kong 999077China Center of Super-Diamond and Advanced Films(COSDAF) City University of Hong KongHong Kong 999077China Key Laboratory of Material Physics of Ministry of Education School of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450052HenanChina Shenzhen Institutes of Advanced Technology Chinese Academy of SciencesShenzhen 518055GuangdongChina

Employing cathode materials with multiple redox couples and electrolytes with efficient cation transport kinetics are two effective approaches to improving the electrochemical performance of *** this work,for the first time,we present a design strategy of simultaneously realizing reversible cationic and anionic redox chemistries as well as selective anion/cation transport in the viologen-based COFs(BAVCOF:X,coordinated anions of X=Cl^(-),Br^(-),I^(-),and ClO_(4)^(-))for high-performance na-ion *** the cationic redox of viologen segments,the different redox activities of anions effectively tune the total capacities of the ***,electrochemical analysis and ab-initial molecular dynamics(AIMD)calculation illustrate that the anion/cation transport kinetics of electrolytes caged in the COFs'channels can be selectively tuned by the coordinated *** a result,combining high-potential Br-/Br_(2)redox couple,cationic redox of viologen segments,and enhanced na+transport kinetics,the BAV-COF:Brdemonstrates stable performance with energy densities of 358.7 and 145.2 Wh kg^(-1)at power densities of 116.5 and 2124.1 W kg^(-1),*** study offers new insight into the fabrication of organic cathodes with anionic redox and the advantages of COFs electrode materials in anion/cation transport selectivity for energy storage applications.

关键词： Cationic and anionic redox chemistries Selective anion/cation transport ionic COFs Organic cathode na-ion battery

Surface encapsulation of layered oxide cathode material with NiTiO_(3) for enhanced cycling stability of na-ion batteries

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Chinese Physics B 2024年第8期33卷 551-558页

作者：胡紫霖唐彬林挺张楚牛耀申刘渊高立克谢飞容晓晖陆雅翔胡勇胜 Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and DevicesBeijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China College of Materials Science and Optoelectronic Technology University of Chinese Academy of SciencesBeijing 100049China Huairou Division Institute of PhysicsChinese Academy of SciencesBeijing 101400China Yangtze River Delta Physics Research Center Co.Ltd Liyang 213300China Beijing national Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100049China Guangxi Power Grid Co.Ltd. Nanning 530023China

In na-ion batteries,O3-type layered oxide cathode materials encounter challenges such as particle cracking,oxygen loss,electrolyte side reactions,and multi-phase transitions during the charge/discharge *** study focuses on surface coating with NiTiO_(3) achieved via secondary heat treatment using a coating precursor and the surface *** in-situ x-ray diffraction(XRD)and differential electrochemical mass spectrometry(DEMS),along with crystal structure characterizations of post-cycling materials,it was determined that the NiTiO_(3) coating layer facilitates the formation of a stable lattice structure,effectively inhibiting lattice oxygen loss and reducing side reaction with the *** enhancement in cycling stability was evidenced by a capacity retention of approximately 74%over 300 cycles at 1 C,marking a significant 30%improvement over the initial ***,notable advancements in rate performance were *** results indicate that a stable and robust surface structure substantially enhances the overall stability of the bulk phase,presenting a novel approach for designing layered oxide cathodes with higher energy density.

关键词： na-ion battery layered oxides high voltage surface coating

Understanding voltage hysteresis and decay during anionic redox reaction in layered transition metal oxide cathodes:A critical review

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nano Research 2023年第3期16卷 3766-3780页

作者： Wei Zheng Gemeng Liang Shilin Zhang Kenneth Davey Zaiping Guo School of Chemical Engineering&Advanced Materials The University of AdelaideAdelaideSA 5005Australia

The emergence of anionic redox reactions in layered transition metal oxide cathodes provides practical opportunity to boost the energy density of rechargeable ***,the activation of anionic redox reaction in layered oxides has significant voltage hysteresis and decay that reduce battery performance and limit ***,we critically review the up-todate development of anionic redox reaction in layered oxide cathodes,summarize the proposed reaction mechanism,and unveil their connection to voltage hysteresis and decay based on the state-of-the-art *** addition,advances associated with various modification approaches to mitigate the voltage hysteresis/decay in layered transition metal oxide cathodes are also ***,we conclude with an appraisal of further research directions including rational design of high-performance layered oxide cathodes with reversible anionic redox reactions and suppressed voltage hysteresis/*** will be of immediate benefit to the development of layered oxide cathodes for high performance rechargeable batteries.

关键词： anionic redox reaction voltage hysteresis voltage decay layered transition metal oxides Li-ion battery na-ion battery

Tuning anionic redox activity to boost high-performance sodium-storage in low-cost na_(0.67)Fe_(0.5)Mn_(0.5)O_(2) cathode

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Journal of Energy Chemistry 2022年第10期31卷 214-222,I0005页

作者： Jianyue Jiao Kang Wu na Li Enyue Zhao Wen Yin Zhongbo Hu Fangwei Wang Jinkui Zhao Xiaoling Xiao College of Materials Science and Opto-electronic Technology Center of Materials Science and Optoelectronics EngineeringUniversity of Chinese Academy of SciencesBeijing 100049China Songshan Lake Materials Laboratory Dongguan 523808GuangdongChina Spallation Neutron Source Science Center Dongguan 523803GuangdongChina Beijing national Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China

na-based layered iron-manganese oxide na_(0.67)Fe_(0.5)Mn_(0.5)O_(2) containing only low-cost elements is a promising cathode for na-ion batteries used in large-scale energy storage ***,the poor cycle stability restricts its practical *** capacity decay of na_(0.67)Fe_(0.6)Mn_(0.5)O_(2) mainly originates from the irreversible anionic redox reaction charge compensation due to the high-level hybridization between oxygen and ***,we rationally design a surface Ti doping strategy to tune the anionic redox reaction activity of na_(0.67)Fe_(0.5)Mn_(0.5)O_(2) and improve its na-storage *** doped Ti ions not only enlarge the na migration spacing layer but also improve the structure stability thanks to the strong Ti-O *** importantly,the d0-shell electronic structure of Ti^(4+) can suppress the charge transfer from the oxidized anions to cations,thus reducing the anionic redox reaction activity and enhancing the reversibility of charge *** modified na_(0.67)Fe_(0.5)Mn_(0.5)O_(2) cathode shows a reversible capacity of 198 mA h g^(-1) and an increased capacity retention from 15% to 73% after about1 month of ***,a superior na-ion diffusion kinetics and rate capability are also *** work advances the commercialization process of na-based layered iron-manganese oxide cathodes;on the other hand,the proposed modification strategy paves the way for the design of high-performance electrode materials relying on anionic redox reactions.

关键词： na-ion battery P2-na_(0.67)Fe_(0.5)Mn_(0.5)O_(2) Anionic redox reaction Surface Ti doping

Anionic redox reaction mechanism in na-ion batteries

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Chinese Physics B 2022年第9期31卷 95-102页

作者： Xueyan Hou Xiaohui Rong Yaxiang Lu Yong-Sheng Hu Key Laboratory for Renewable Energy Beijing Key Laboratory for New Energy Materials and DevicesBeijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100190China

na-ion batteries(NIBs),as one of the next-generation rechargeable battery systems,hold great potential in large-scale energy storage applications owing to the abundance and costeffectiveness of sodium *** the extensive exploration of electrode materials,the relatively low attainable capacity of NIBs hinders their practical *** recent years,the anionic redox reaction(ARR)in NIBs has been emerging as a new paradigm to deliver extra capacity and thus offers an opportunity to break through the intrinsic energy density *** this review,the fundamental investigation of the ARR mechanism and the latest exploration of cathode materials are summarized,in order to highlight the significance of reversible anionic redox and suggest prospective developing directions.

关键词： energy storage na-ion battery anionic redox reaction