Iodine ion transport in solid electrolyte LiI(C3H5NO)(2): a first-principles identification
文献类型：期刊论文
| 作者 | Shi, SQ ; Xu, LF ; Ouyang, CY ; Wang, ZX ; Chen, LQ |
| 刊名 | IONICS
 |
| 出版日期 | 2006 |
| 卷号 | 12期号:6页码:343 |
| 关键词 | AB-INITIO EFFICIENCY DIFFUSION METALS LI3N |
| ISSN号 | 0947-7047 |
| 通讯作者 | Chen, LQ: Chinese Acad Sci, Inst Phys, Lab Solid State Ion, POB 603, Beijing 100080, Peoples R China. |
| 中文摘要 | The ion transport mechanism in solid electrolyte LiI(C3H5NO)(2) (J Am Chem Soc 127:6394, 2005) was investigated using first-principles molecular dynamics simulation. Both atomic and electronic structures and ion diffusion dynamics indicate that LiI(C3H5NO)(2) is a unique Iodine ion conductor. This conclusion is opposite to the common intuition that the diffusion should be more favorable for Li+ ions due to its lighter mass as compared to Iodine ions but agrees with the available experiments. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/40358]  |
| 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 | Shi, SQ,Xu, LF,Ouyang, CY,et al. Iodine ion transport in solid electrolyte LiI(C3H5NO)(2): a first-principles identification[J]. IONICS,2006,12(6):343. |
| APA | Shi, SQ,Xu, LF,Ouyang, CY,Wang, ZX,&Chen, LQ.(2006).Iodine ion transport in solid electrolyte LiI(C3H5NO)(2): a first-principles identification.IONICS,12(6),343. |
| MLA | Shi, SQ,et al."Iodine ion transport in solid electrolyte LiI(C3H5NO)(2): a first-principles identification".IONICS 12.6(2006):343. |
入库方式： OAI收割
来源：物理研究所
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