Koudriachova, M;
Harrison, NM;
de Leeuw, SW;
(2001)
Effect of Diffusion on Lithium Intercalation in Titanium Dioxide.
Physical Review Letters
, 86
(7)
1275 - 1278.
10.1103/PhysRevLett.86.1275.
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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.
| Type: | Article |
|---|---|
| Title: | Effect of Diffusion on Lithium Intercalation in Titanium Dioxide |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.86.1275 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.86.1275 |
| Language: | English |
| Additional information: | © 2001 The American Physical Society |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/9284 |
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