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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 performance.Also,vacancies can effectively strengthen the Na+adsorption ability and provide extra active sites for Na+adsorption.However,their synchronous engineering is rarely reported.Herein,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 strategy.Spherical aberration-corrected transmission electron microscopy confirms the phase interface of the Co_(0.85)Se/WSe_(2) heterostructure and the existence of Se vacancies.density 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,respectively.As 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 mechanism.However,unmodified Co_(3)O_(4)suffers from distinctly inferior rate capability and poor cycling stability.On 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 impedance.In addition,N-doping graphene can enhance the inherent electrical conductivity of Co_(3)O_(4),which is proved by the DFT calculations.By 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 cycle.Pouch 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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