Mechanisms of Li+ transport in garnet-type cubic Li3+xLa3M2O12 (M = Te, Nb, Zr)

被引：165

作者：

Xu, Ming ^{[1
,2
]}

Park, Min Sik ^{[1
]}

Lee, Jae Myung ^{[1
]}

Kim, Tae Young ^{[1
]}

Park, Young Sin ^{[1
]}

Ma, Evan ^{[2
]}

机构：

[1] Samsung Adv Inst Technol, Battery Grp, Yongin 446712, South Korea

[2] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA

来源：

PHYSICAL REVIEW B | 2012年 / 85卷 / 05期

关键词：

LITHIUM ION CONDUCTIVITY; LI7LA3ZR2O12; CONDUCTORS; LI(3)LN(3)TE(2)O(12); LI5LA3NB2O12;

D O I：

10.1103/PhysRevB.85.052301

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have studied a promising lithium-ion conductor, garnet-type cubic Li oxides, at various Li concentrations. The ab initio calculations performed on these materials revealed two distinct mechanisms of Li-ion transport, with very different energy barriers and a strong dependence on Li distribution. Our findings explain the origin of the vastly varying ionic conductivities at different Li concentrations and suggest possible principles to improve such materials for solid-state electrolyte applications.

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页数：5

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