| Literature DB >> 11178062 |
M V Koudriachova1, N M Harrison, S W de Leeuw.
Abstract
A new model of Li intercalation into rutile and anatase structured titania has been developed from 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.Entities:
Year: 2001 PMID： 11178062 DOI： 10.1103/PhysRevLett.86.1275
Source DB: PubMed Journal: Phys Rev Lett ISSN： 0031-9007 Impact factor: 9.161