A novel 2D VC4 as a promising Na-host material for Na-ion batteries: computational insights
文献类型：期刊论文
| 作者 | Rehman, Javed4; Gao, Jiayu1,2; Yu, Tong3; El-marghany, Adel5; Yang, Guochun1,2 |
| 刊名 | JOURNAL OF MATERIALS CHEMISTRY A
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| 出版日期 | 2024-03-12 |
| 卷号 | 12期号:11页码:6703-6711 |
| ISSN号 | 2050-7488 |
| DOI | 10.1039/d3ta06579k |
| 通讯作者 | Yu, Tong(tyu@imr.ac.cn) ; Yang, Guochun(anggc468@nenu.edu.cn) |
| 英文摘要 | The rapid growth of technologies has influenced our daily lives to build efficient energy storage systems for various electric vehicles and portable electronic devices. The abundant reserves, low cost, and low toxicity of sodium-ion batteries (SIBs) make them one of the most promising next-generation energy storage technologies. However, limited anode materials hinder their further development. Here, we predict a 2D VC4 monolayer as the Na host material for SIBs. Based on our theoretical analysis, it is stable dynamically as well as thermally. As a Na host material, the VC4 anode is found to have a low open-circuit voltage (0.51 V) and a high Na storage capacity of 1353 mA h g(-1). Also, the Bader charge technique reveals charge transfer from Na to VC4 and thus verifies the electrochemical reaction between Na and the host. Eventually, we inspect the low activation barrier for Na migration on VC4 (0.32 eV), revealing rapid charging/discharging rates. These fascinating results of the current study provide a theoretical and technical basis for the advancement of SIBs. |
| 资助项目 | National Natural Science Foundation of China[22372142] ; National Natural Science Foundation of China[52203364] ; National Natural Science Foundation of China[52350410474] ; National Natural Science Foundation of China[G2023003004L] ; Foreign Expert Introduction Program[2022M713214] ; China Postdoctoral Science Foundation[BX2021321] ; China National Postdoctoral Program for Innovative Talents[RSPD2024R667] ; Yanshan University, Qinhuangdao, China ; King Saud University, Riyadh, Saudi Arabia |
| WOS研究方向 | Chemistry ; Energy & Fuels ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:001174789700001 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | National Natural Science Foundation of China ; National Natural Science Foundation of China ; Foreign Expert Introduction Program ; China Postdoctoral Science Foundation ; China National Postdoctoral Program for Innovative Talents ; Yanshan University, Qinhuangdao, China ; King Saud University, Riyadh, Saudi Arabia |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Yu, Tong; Yang, Guochun |
| 作者单位 | 1.Yanshan Univ, Sch Sci, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China 2.Yanshan Univ, Sch Sci, Key Lab Microstruct Mat Phys Hebei Prov, Qinhuangdao 066004, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 4.Yanshan Univ, Sch Mat Sci & Engn, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China 5.King Saud Univ, Coll Sci, Dept Chem, POB 2455, Riyadh 11451, Saudi Arabia |
| 推荐引用方式 GB/T 7714 | Rehman, Javed,Gao, Jiayu,Yu, Tong,et al. A novel 2D VC4 as a promising Na-host material for Na-ion batteries: computational insights[J]. JOURNAL OF MATERIALS CHEMISTRY A,2024,12(11):6703-6711. |
| APA | Rehman, Javed,Gao, Jiayu,Yu, Tong,El-marghany, Adel,&Yang, Guochun.(2024).A novel 2D VC4 as a promising Na-host material for Na-ion batteries: computational insights.JOURNAL OF MATERIALS CHEMISTRY A,12(11),6703-6711. |
| MLA | Rehman, Javed,et al."A novel 2D VC4 as a promising Na-host material for Na-ion batteries: computational insights".JOURNAL OF MATERIALS CHEMISTRY A 12.11(2024):6703-6711. |
入库方式： OAI收割
来源：金属研究所
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