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Issue 39, 2014
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Lithium-ion diffusion mechanisms in the battery anode material Li1+xV1−xO2

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Abstract

Layered Li1+xV1−xO2 has attracted recent interest as a potential low voltage and high energy density anode material for lithium-ion batteries. A greater understanding of the lithium-ion transport mechanisms is important in optimising such oxide anodes. Here, stoichiometric LiVO2 and Li-rich Li1.07V0.93O2 are investigated using atomistic modelling techniques. Lithium-ion migration is not found in LiVO2, which has also previously shown to be resistant to lithium intercalation. Molecular dynamics simulations of lithiated non-stoichiometric Li1.07+yV0.93O2 suggest cooperative interstitial Li+ diffusion with favourable migration barriers and diffusion coefficients (DLi), which are facilitated by the presence of lithium in the transition metal layers; such transport behaviour is important for high rate performance as a battery anode.

Graphical abstract: Lithium-ion diffusion mechanisms in the battery anode material Li1+xV1−xO2

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Publication details

The article was received on 16 Apr 2014, accepted on 30 Jun 2014 and first published on 03 Jul 2014


Article type: Paper
DOI: 10.1039/C4CP01640H
Citation: Phys. Chem. Chem. Phys., 2014,16, 21114-21118
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    Lithium-ion diffusion mechanisms in the battery anode material Li1+xV1−xO2

    P. M. Panchmatia, A. R. Armstrong, P. G. Bruce and M. S. Islam, Phys. Chem. Chem. Phys., 2014, 16, 21114
    DOI: 10.1039/C4CP01640H

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