Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage
文献类型：期刊论文
| 作者 | Tritsaris, GA ; Kaxiras, E ; Meng, S ; Wang, EG |
| 刊名 | NANO LETTERS
 |
| 出版日期 | 2013 |
| 卷号 | 13期号:5页码:2258 |
| 关键词 | Lithium-ion battery energy storage two-dimensional silicon adatom adsorption surface diffusion ab initio calculations |
| ISSN号 | 1530-6984 |
| 通讯作者 | Meng, S (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | The energy density of Li-ion batteries depends critically on the specific charge capacity of the constituent electrodes. Silicene, the silicon analogue to graphene, being of atomic thickness could serve as high-capacity host of Li in Li-ion secondary batteries. In this work, we employ first-principles calculations to investigate the interaction of Li with Si in model electrodes of free-standing single-layer and double-layer silicene. More specifically, we identify strong binding sites for Li, calculate the energy barriers accompanying Li diffusion, and present our findings in the context of previous theoretical work related to Li-ion storage in other structural forms of silicon: the bulk and nanowires. The binding energy of Li is similar to 2.2 eV per Li atom and shows small variation with respect to Li content and silicene thickness (one or two layers) while the barriers for Li diffusion are relatively low, typically less than 0.6 eV. We use our theoretical findings to assess the suitability of two-dimensional silicon in the form of silicene layers for Li-ion storage. |
| 资助信息 | National Science Foundation [OCI-1053575]; NSFC [11222431]; CAS |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/56761]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Tritsaris, GA,Kaxiras, E,Meng, S,et al. Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage[J]. NANO LETTERS,2013,13(5):2258. |
| APA | Tritsaris, GA,Kaxiras, E,Meng, S,&Wang, EG.(2013).Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage.NANO LETTERS,13(5),2258. |
| MLA | Tritsaris, GA,et al."Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage".NANO LETTERS 13.5(2013):2258. |
入库方式： OAI收割
来源：物理研究所
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