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High-efficiency sodium storage of Co_(0.85)Se/WSe_(2) encapsulated in N-doped carbon polyhedron via vacancy and heterojunction engineering

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Carbon Energy 2024年第1期6卷 94-107页

作者： Ya Ru Pei Hong Yu Zhou Ming Zhao Jian Chen Li Xin Ge Wei Zhang Chun Cheng Yang Qing Jiang Key Laboratory of Automobile Materials(Jilin University) Ministry of EducationSchool of Materials Science and EngineeringJilin UniversityChangchunChina Jilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy Materials Electron Microscopy CenterJilin UniversityChangchunChina

With the advantage of fast charge transfer,heterojunction engineering is identified as a viable method to reinforce the anodes'sodium storage ***,vacancies can effectively strengthen the Na+adsorption ability and provide extra active sites for Na+***,their synchronous engineering is rarely ***,a hybrid of Co_(0.85)Se/WSe_(2) heterostructure with Se vacancies and N-doped carbon polyhedron(CoWSe/NCP)has been fabricated for the first time via a hydrothermal and subsequent selenization *** aberration-corrected transmission electron microscopy confirms the phase interface of the Co_(0.85)Se/WSe_(2) heterostructure and the existence of Se *** functional theory simulations reveal the accelerated charge transfer and enhanced Na+adsorption ability,which are contributed by the Co_(0.85)Se/WSe_(2) heterostructure and Se vacancies,*** expected,the CoWSe/NCP anode in sodium-ion battery achieves outstanding rate capability(339.6 mAh g^(−1) at 20 A g^(−1)),outperforming almost all Co/W-based selenides.

关键词： Co_(0.85)Se/WSe_(2)heterostructure density functional theory simulations N-doped carbon polyhedron Se vacancies sodium-ion batteries

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Structure-design and theoretical-calculation for ultrasmall Co_(3)O_(4) anchored into ionic liquid modified graphene as anode of flexible lithium-ion batteries

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Nano Research 2022年第3期15卷 2104-2111页

作者： Longda Cong Shichao Zhang Hengyao Zhu Weixin Chen Xueyan Huang Yalan Xing Jun Xia Puheng Yang Xia Lu School of Materials Science and Engineering Beihang UniversityBeijing 100191China School of Physics Science and Nuclear Energy Engineering Beihang UniversityBeijing 100191China School of Materials Sun Yat-sen UniversityShenzhen 518107China School of Materials Science and Engineering Sun Yat-sen UniversityGuangzhou 510275China

Cobalt oxide(Co_(3)O_(4))is currently suitable in energy storage applications because of its high capacity based on the conversion reaction ***,unmodified Co_(3)O_(4)suffers from distinctly inferior rate capability and poor cycling *** the basis of the aforementioned considerations and density functional theory(DFT)simulations,the three-dimensional hierarchical porous structure(HPS)ultrasmall Co_(3)O_(4)anchored into ionic liquid(IL)modified graphene oxide(GO)has been successfully prepared(ultrasmall/Co_(3)O_(4)-GA-IL).The ultrasmall/Co_(3)O_(4)-GA-IL consists of Co_(3)O_(4)co-assembled with IL modified GO to generate the HPS which can facilitate ion transfer channels through reduction of the electron and ion transportation path and transmission *** addition,N-doping graphene can enhance the inherent electrical conductivity of Co_(3)O_(4),which is proved by the DFT *** virtue of the novel superstructure,the ultrasmall/Co_(3)O_(4)-GA-IL electrode demonstrates a high reversible capacity of 1,304 mAh·g^(−1),an enhanced high-rate capability(715 mAh·g^(−1)at 5 C),and a capacity retention of 98.4%even after 500 cycles at 5 C rate,which corresponds to 0.0003%capacity loss per *** cells based on the cathode are further fabricated and demonstrate excellent mechanical and electrochemical properties under bent and folded state,highlighting the practical application of our deliberately designed electrode in wearable electronics.

关键词： co-assembly ultrasmall cobalt oxide ionic liquid flexible lithium-ion batteries hierarchical porous structure density functional theory simulations

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Enhancing sodium-ion storage performance of MoO/N-doped carbon through interfacial Mo–N–C bond

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Science China Materials 2021年第1期64卷 85-95页

作者： Bin Huang Shuang Liu Xu Zhao Yanwei Li Jianwen Yang Quanqi Chen Shunhua Xiao Wenhua Zhang Hong-En Wang Guozhong Cao Guangxi Key Laboratory of Electrochemical and Magneto-chemical functional Materials College of Chemistry and BioengineeringGuilin University of TechnologyGuilin541004China Institute of Chemical Materials China Academy of Engineering PhysicsMianyang621900China Department of Materials Science and Engineering University of WashingtonSeattleWA98195USA College of Physics and Electronics Information Yunnan Normal UniversityKunming650500China

Na-ion batteries(SIBs)have attracted considerable attention as promising alternatives to commercial Li-ion batteries(LIBs)due to comparable redox potential,and natural abundance of ***,it remains challenging to explore suitable anodes for ***,a MoO2/N-doped carbon(MoO2/N-C)composite composed of MoO2 nanocrystals embedded within carbon matrix with a Mo–N–C chemical bond is prepared by a simple yet effective carbonization-induced topochemical transformation ***-ion half-cells using MoO2/N-C exhibit excellent cycling stability over 5000 cycles at 5 A g^-1 and superior rate *** characterizations and first-principles density functional theory(DFT)simulations reveal that the formation of chemical bond at the interface between MoO2 and N-doped carbon plays an important role in the excellent charge storage properties of MoO2/*** importantly,the interfacial coupling can efficiently promote interface charge *** from this,Na-ion capacitors(SICs)constructed with the MoO2/N-C anode and activated carbon cathode can deliver an impressive energy density of 15 W h kg^-1 at a power density of 1760 W kg^-1,together with a capacitance retention of 92.4%over 1000 cycles at 10 A g^-*** proposed strategy in this paper based on interfacial chemical bond may hold promises for the design of high-performance electrodes for energy storage devices.

关键词： topochemical transformation Mo–N chemical bond Na-ion batteries Na-ion capacitor density functional theory simulations

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