期刊
PHYSICAL REVIEW LETTERS
卷 86, 期 7, 页码 1275-1278出版社
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.86.1275
关键词
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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.
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