One-dimensional stringlike cooperative migration of lithium ions in an ultrafast ionic conductor

被引:76
作者
Xu, M. [1 ]
Ding, J. [1 ]
Ma, E. [1 ]
机构
[1] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA
关键词
TRANSITION;
D O I
10.1063/1.4737397
中图分类号
O59 [应用物理学];
学科分类号
摘要
In the recently developed ultrafast Li-ion conductor, Li10GeP2S12, our ab initio and molecular dynamics simulations have revealed a unique Li ion transport mechanism. The Li ions are discovered to migrate in a highly correlated fashion, stemming from the large Coulombic interaction between the mobile ions. The stringlike cooperative ionic motion is found to entail a rather low energy barrier, contributing to the unusually high ionic conductivity of this solid-state electrolyte. Such a collective migration mechanism may also be operative in other Li-ion battery electrolytes with high concentrations of mobile Li ions. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4737397]
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页数:3
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