A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration
文献类型：期刊论文
| 作者 | Li, Fengyu2; Cabrera, Carlos R.2; Wang, Jingyang1; Chen, Zhongfang2 |
| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2016 |
| 卷号 | 6期号:85页码:81591-81596 |
| ISSN号 | 2046-2069 |
| DOI | 10.1039/c6ra13491b |
| 通讯作者 | Chen, Zhongfang(zhongfangchen@gmail.com) |
| 英文摘要 | By means of density functional theory (DFT) computations, we investigated the potential of oxygen-terminated Cr2C (Cr2CO2) as a cathode material for lithium and non-lithium ion batteries (LIBs and NLIBs). Our computations revealed that the Cr2CO2 exhibits the extraordinary characteristics that the LIB and NLIB electrodes require, including good electronic conductivity, high binding energy, a moderate diffusion barrier and high storage capacity. In particular, the high operating voltage (>2 V) of Cr2CO2 endows itself as a promising cathode material for Li, Na and Ca ion batteries. |
| 资助项目 | Department of Defense[W911NF-15-1-0650] ; NSF[EPS-1002410] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000382776000017 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | Department of Defense ; NSF |
| 源URL | [http://ir.imr.ac.cn/handle/321006/122627]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Chen, Zhongfang |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Puerto Rico, Inst Funct Nanomat, Dept Chem, Rio Piedras Campus, Rio Piedras, PR 00931 USA |
| 推荐引用方式 GB/T 7714 | Li, Fengyu,Cabrera, Carlos R.,Wang, Jingyang,et al. A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration[J]. RSC ADVANCES,2016,6(85):81591-81596. |
| APA | Li, Fengyu,Cabrera, Carlos R.,Wang, Jingyang,&Chen, Zhongfang.(2016).A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration.RSC ADVANCES,6(85),81591-81596. |
| MLA | Li, Fengyu,et al."A Cr2CO2 monolayer as a promising cathode for lithium and non-lithium ion batteries: a computational exploration".RSC ADVANCES 6.85(2016):81591-81596. |
入库方式： OAI收割
来源：金属研究所
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