Effect of diffusion on lithium intercalation in titanium dioxide

被引：216

作者：

Koudriachova, MV

Harrison, NM

de Leeuw, SW

机构：

[1] Delft Univ Technol, Dept Appl Phys, NL-2628 CJ Delft, Netherlands

[2] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England

[3] CLRC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 86卷 / 07期

关键词：

D O I：

10.1103/PhysRevLett.86.1275

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new model of Li intercalation into rutile and anatase structured titania has been developed fi-om first principles calculations. The model includes both thermodynamic and kinetic effects and explains the observed differences in intercalation behavior and their temperature dependence. The important role of strong local deformations of the lattice and elastic screening of interlithium interactions: is demonstrated. In addition, a new phase of LiTiO2 is reported.

引用

页码：1275 / 1278

页数：4

共 28 条

[1] Atomic structure and electrochemical potential of Li1+xV3O8 [J].