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Structural and electronic properties of Cu4O3 (paramelaconite): the role of native impurities

Aleksandar Živković, Jacobina Sheehama, Michael Warwick Orcid Logo, Daniel Jones, Claire Mitchel, Daniel Likius, Veikko Uahengo, Nelson Y. Dzade, Sankar Meenakshisundaram, Charlie Dunnill Orcid Logo, Nora H. de Leeuw

Pure and Applied Chemistry, Volume: 93, Issue: 10

Swansea University Authors: Michael Warwick Orcid Logo, Daniel Jones, Charlie Dunnill Orcid Logo

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DOI (Published version): 10.1515/pac-2021-0114

Published in: Pure and Applied Chemistry
ISSN: 0033-4545 1365-3075
Published: Walter de Gruyter GmbH 2021
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URI: https://cronfa.swan.ac.uk/Record/cronfa57615
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Keywords: Chemistry and its applications; Cu4O3; density functional theory (DFT); instrinsic defects; paramelaconite; p-type conductivity; VCCA-2020
College: Faculty of Science and Engineering
Issue: 10