Issue 33, 2008

Mechanism of Li-insertion into spinel-structured Li0.5TiO2

Abstract

First-principles calculations of Li-insertion into spinel-structured titanate Li0.5TiO2 reveal a mechanism underlying the intercalation behaviour of this material. A key factor is the accommodation of charge density transferred to the host lattice upon lithium insertion. The strong coupling between the electronic degrees of freedom and structural deformations is responsible for the observed two-phase intercalation behaviour in spinel-structured titanate.

Graphical abstract: Mechanism of Li-insertion into spinel-structured Li0.5TiO2

Article information

Article type
Paper
Submitted
12 Feb 2008
Accepted
21 May 2008
First published
23 Jun 2008

Phys. Chem. Chem. Phys., 2008,10, 5094-5098

Mechanism of Li-insertion into spinel-structured Li0.5TiO2

M. V. Koudriachova, Phys. Chem. Chem. Phys., 2008, 10, 5094 DOI: 10.1039/B802421A

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