Projects per year
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.
Original language | English |
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Pages (from-to) | 21114-21118 |
Journal | Physical Chemistry Chemical Physics |
Volume | 39 |
Issue number | 16 |
Early online date | 3 Jul 2014 |
DOIs | |
Publication status | Published - 21 Oct 2014 |
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Dive into the research topics of 'Lithium-ion diffusion mechanisms in the battery anode material Li1+x V1−x O2 '. Together they form a unique fingerprint.Projects
- 1 Finished
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Supergen Core Renewal - E-Storage
Islam, S. (PI) & Dunn, R. (CoI)
Engineering and Physical Sciences Research Council
15/02/10 → 14/08/14
Project: Research council
Equipment
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High Performance Computing (HPC) Facility
Chapman, S. (Manager)
University of BathFacility/equipment: Facility