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Superior ionic and electronic properties of ren2 monolayers for na-ion battery electrodes

文献类型:期刊论文

作者Zhang,Shi-Hao1; Liu,Bang-Gui1,2
刊名Nanotechnology
出版日期2018-06-07
卷号29期号:32
ISSN号0957-4484
关键词2d material Energy Ion battery
DOI10.1088/1361-6528/aac73b
英文摘要Abstract excellent monolayer electrode materials can be used to design high-performance alkali-metal-ion batteries. here, we propose two-dimensional ren2 monolayers as superior sodium-ion battery materials. our total energy optimization results in a buckled tetragonal structure for the ren2 monolayer, and our phonon spectrum and elastic moduli prove that it is dynamically and mechanically stable. further investigations show that it is metallic and still keeps its metallic feature after the adsorption of na or k atoms, and the adsorption of na (or k) atoms changes the lattice parameters by 3.2% (or 3.8%) at most. its maximum capacity reaches 751 ma h g?1 for na-ion batteries or 250 ma h g?1 for k-ion batteries, and the diffusion barrier is only 0.027 ev for the na atom or 0.127 ev for the k atom. the small lattice changes, high storage capacity, metallic feature, and extremely low ion diffusion barriers make the ren2 monolayers a superior electrode material for na-ion rechargeable batteries with ultrafast charging/discharging processes.
语种英语
出版者IOP Publishing
WOS记录号IOP:0957-4484-29-32-AAC73B
URI标识http://www.irgrid.ac.cn/handle/1471x/2373990
专题物理研究所
作者单位1.Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
2.School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
推荐引用方式
GB/T 7714
Zhang,Shi-Hao,Liu,Bang-Gui. Superior ionic and electronic properties of ren2 monolayers for na-ion battery electrodes[J]. Nanotechnology,2018,29(32).
APA Zhang,Shi-Hao,&Liu,Bang-Gui.(2018).Superior ionic and electronic properties of ren2 monolayers for na-ion battery electrodes.Nanotechnology,29(32).
MLA Zhang,Shi-Hao,et al."Superior ionic and electronic properties of ren2 monolayers for na-ion battery electrodes".Nanotechnology 29.32(2018).

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来源:物理研究所

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