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Strain induced layered to spinel phase transformation in metal oxide cathodes

Strain induced layered to spinel phase transformation in metal oxide cathodes
Strain induced layered to spinel phase transformation in metal oxide cathodes
Battery materials are at the fore-front of the fight against climate change with industry standard battery materials seeing significant degradation after prolonged cycling. This study utilises ab initio Density Functional Theory to explore the driving forces governing phase transformation of layered metal oxides in the context of battery materials. Investigating known degradation routes under lattice strain closely models the conditions seen during typical battery operation and elucidates methods for inhibiting degradation.
University of Southampton
MacAulay, Bud
6f4063c7-d644-4988-b87a-aa2e78354ed2
MacAulay, Bud
6f4063c7-d644-4988-b87a-aa2e78354ed2
Skylaris, Chris
8f593d13-3ace-4558-ba08-04e48211af61
Hamilton, Andrew
9088cf01-8d7f-45f0-af56-b4784227447c

MacAulay, Bud (2025) Strain induced layered to spinel phase transformation in metal oxide cathodes. University of Southampton, Doctoral Thesis, 209pp.

Record type: Thesis (Doctoral)

Abstract

Battery materials are at the fore-front of the fight against climate change with industry standard battery materials seeing significant degradation after prolonged cycling. This study utilises ab initio Density Functional Theory to explore the driving forces governing phase transformation of layered metal oxides in the context of battery materials. Investigating known degradation routes under lattice strain closely models the conditions seen during typical battery operation and elucidates methods for inhibiting degradation.

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Published date: January 2025
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Identifiers

Local EPrints ID: 497436
URI: http://eprints.soton.ac.uk/id/eprint/497436
PURE UUID: f08c01d9-9dda-4941-aa6b-dd26d3dcabfd
ORCID for Chris Skylaris: ORCID iD orcid.org/0000-0003-0258-3433
ORCID for Andrew Hamilton: ORCID iD orcid.org/0000-0003-4627-849X

Catalogue record

Date deposited: 22 Jan 2025 17:51
Last modified: 22 Aug 2025 02:19

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Contributors

Author: Bud MacAulay
Thesis advisor: Chris Skylaris ORCID iD
Thesis advisor: Andrew Hamilton ORCID iD

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