期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 17, 期 35, 页码 22917-22922出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cp02246k
关键词
-
资金
- Bundesministerium fur Bildung und Forschung'' (BMBF)
Mechanism of Li diffusion at the LiCoO2(10 (1) over bar4) surface and in bulk LiCoO2 is studied using density functional theory calculations. We find that there is almost no barrier for the diffusion of Li between the two topmost surface layers. The results show that Li intercalation occurs by the diffusion of Li ions from the first layer to the divacancy of Li sites created by removal of two neighboring Li ions in the first and second layer. However, Li deintercalation occurs by the diffusion of Li ions from the second layer to the missing row of topmost Li sites. The energy barrier for the process of intercalation/deintercalation of Li between the second and third surface layers is also lower than that in the bulk. This finding indicates that nanosized LiCoO2 with a large surface area/volume ratio is a promising cathode material for fast charging/discharging Li-ion batteries.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据