Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries
文献类型：期刊论文
| 作者 | Wu, Yi-Yuan1,2; Bo, Tao2,3; Zhang, Junrong2,3; Lu, Zhansheng4; Wang, Zhiguang5 ; Li, Yuhong1; Wang, Bao-Tian2,3,6
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| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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| 出版日期 | 2019-09-21 |
| 卷号 | 21期号:35页码:19513-19520 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c9cp03954f |
| 通讯作者 | Li, Yuhong(liyuhong@lzu.edu.cn) ; Wang, Bao-Tian(wangbt@ihep.ac.cn) |
| 英文摘要 | Two-dimensional (2D) materials, owing to their unique properties, have shown great potential for energy storage. In this work, we predict two types of new 2D transition metal carbides and nitrides, namely, tetragonal V2C2 and V2N2 (tetr-V2C2 and tetr-V2N2) monolayer sheets. Comprehensive first-principle calculations show that these two 2D systems exhibit dynamic (thermal) stabilities and intrinsic metallic nature. Compared with the commercialized graphite anode material, tetr-V2C2 and tetr-V2N2 monolayer sheets exhibit lower Li diffusion barrier of 89 and 94 meV, higher theoretical capacity of 412 and 425 mA h g(-1) and lower average open circuit of 0.468 and 0.583 V, respectively. Combining those advanced features, our proposed tetr-V2C2 and tetr-V2N2 monolayer sheets are both promising candidates as anode materials for lithium-ion batteries (LIBs) in the future. |
| WOS关键词 | TRANSITION-METAL DICHALCOGENIDES ; ANODE MATERIAL ; HIGH-CAPACITY ; NANOCRYSTALS ; ADSORPTION ; DIFFUSION ; GRAPHENE ; MXENES ; V2C |
| 资助项目 | National Natural Science Foundation of China[11805088] ; National Basic Research Program of China[2015CB921103] ; China Postdoctoral Science Foundation[2018M641477] ; Guangdong Provincial Department of Science and Technology, China[2018A0303100013] ; Fundamental Research Funds for the Central Universities (Lanzhou University)[lzujbky-2018-19] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000486175400062 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | National Natural Science Foundation of China ; National Basic Research Program of China ; China Postdoctoral Science Foundation ; Guangdong Provincial Department of Science and Technology, China ; Fundamental Research Funds for the Central Universities (Lanzhou University) |
| 源URL | [http://119.78.100.186/handle/113462/132688]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Li, Yuhong; Wang, Bao-Tian |
| 作者单位 | 1.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China 2.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China 3.Spallat Neutron Source Sci Ctr, Dongguan 523803, Peoples R China 4.Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R China 5.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China 6.Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Shanxi, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Yi-Yuan,Bo, Tao,Zhang, Junrong,et al. Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2019,21(35):19513-19520. |
| APA | Wu, Yi-Yuan.,Bo, Tao.,Zhang, Junrong.,Lu, Zhansheng.,Wang, Zhiguang.,...&Wang, Bao-Tian.(2019).Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,21(35),19513-19520. |
| MLA | Wu, Yi-Yuan,et al."Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.35(2019):19513-19520. |
入库方式： OAI收割
来源：近代物理研究所
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