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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Armstrong, Anthony Robert
University of St Andrews
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (6/6 displayed)
- 2023K2Fe(C2O4)2citations
- 2023Manipulating O3/P2 phase ratio in bi-phasic sodium layered oxides via ionic radius controlcitations
- 2022Importance of superstructure in stabilizing oxygen redox in P3- Na0.67Li0.2Mn0.8O2citations
- 2020Vacancy enhanced oxygen redox reversibility in P3-type magnesium doped sodium manganese oxide Na0.67Mg0.2Mn0.8O2citations
- 2014Lithium-ion diffusion mechanisms in the battery anode material Li1+xV1-xO2citations
- 2014Polymorphism in Li2MSiO4 ( M = Fe, Mn)citations
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article
Lithium-ion diffusion mechanisms in the battery anode material Li1+xV1-xO2
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 (D-Li), 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.