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Effect of Diffusion on Lithium Intercalation in Titanium Dioxide

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. Green open access

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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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