Author:
Sushko Peter V.,Rosso Kevin M.,Abarenkov Igor V.
Abstract
Point defects are known to affect transport properties of materials. The effect of oxygen vacancies on the diffusion of Li+ ions in rutile TiO2 is investigated using an embedded cluster method. The calculated Li+ diffusion pathway in vacancy-containing lattice is similar to that found for the ideal lattice. However, vacancies strongly modify the shape of the Li+ potential energy surface and increase the diffusion activation energies by the factor of two.
Publisher
The Electrochemical Society
Cited by
4 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献