Factors that affect activation energy for Li diffusion in LiFePO4: A first-principles investigation
文献类型：期刊论文
| 作者 | Liu, ZJ ; Huang, XJ |
| 刊名 | SOLID STATE IONICS
 |
| 出版日期 | 2010 |
| 卷号 | 181期号:19-20页码:907 |
| 关键词 | RECHARGEABLE LITHIUM BATTERIES ROOM-TEMPERATURE SOLID-SOLUTION CATHODE MATERIALS IRON PHOSPHATES MISCIBILITY GAP ION BATTERIES LIXFEPO4 TRANSITION BEHAVIOR |
| ISSN号 | 0167-2738 |
| 通讯作者 | Huang, XJ: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter, Beijing 100190, Peoples R China. |
| 中文摘要 | Elastic band method has been used to calculate the activation energy for Li diffusion in the olivine structured LiFePO4 and FePO4. Screening from anions, the valence of the nearest neighbor transition metal, lattice parameters, are identified to be important factors to determine the activation energy for Li diffusion. The calculated activation energy in LiFePO4 and FePO4 are 0.5 eV and 0.27 eV, respectively. It is dependent on the concentration and configuration of lithium ions in the phase boundary regions and a kinetic model for Li extraction and insertion process is proposed. (C) 2010 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 资助信息 | 863 Project [2006AA03Z228]; "973" Project [2007CB936501]; NSFC [50730005] |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/37992]  |
| 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 | Liu, ZJ,Huang, XJ. Factors that affect activation energy for Li diffusion in LiFePO4: A first-principles investigation[J]. SOLID STATE IONICS,2010,181(19-20):907. |
| APA | Liu, ZJ,&Huang, XJ.(2010).Factors that affect activation energy for Li diffusion in LiFePO4: A first-principles investigation.SOLID STATE IONICS,181(19-20),907. |
| MLA | Liu, ZJ,et al."Factors that affect activation energy for Li diffusion in LiFePO4: A first-principles investigation".SOLID STATE IONICS 181.19-20(2010):907. |
入库方式： OAI收割
来源：物理研究所
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