Temperature-dependent Li-ion transport in lithium lanthanum titanate electrolytes

被引：0
|
作者：
Wang, Jiacheng [1 ]
Wu, Nianqiang [1 ]
Bai, Peng [1 ]
机构：
[1] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA
来源：
CHEMICAL COMMUNICATIONS | 2024年 / 60卷 / 67期
基金：
美国国家科学基金会;
关键词：
SOLID-STATE ELECTROLYTES; MECHANISMS; CONDUCTION; BATTERIES;
D O I：
10.1039/d4cc02120g
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A shift of the Li+ ion hopping mechanism with temperature in solid-state lithium lanthanum titanate (LLTO) electrolytes was discovered using ab initio metadynamics simulations. The low-temperature potential-energy barriers were calculated for pristine, nitrogen-doped, vacancy-containing LLTO, revealing nitrogen dopants in the La-poor layer and oxygen vacancies as the key factors for enhanced ionic conductivity. A shift of the Li+ ion hopping mechanism with temperature in solid-state lithium lanthanum titanate (LLTO) electrolytes was discovered using ab initio metadynamics simulations.
引用
收藏
页码：8844 / 8847
页数：5
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