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Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 35(6), p. 16983-16991, 2018

DOI: 10.1039/c7ta11181a

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Anab initioinvestigation on the electronic structure, defect energetics, and magnesium kinetics in Mg<sub>3</sub>Bi<sub>2</sub>

Journal article published in 2018 by Jeongjae Lee ORCID, Bartomeu Monserrat ORCID, Ieuan D. Seymour ORCID, Zigeng Liu ORCID, Siân E. Dutton ORCID, Clare P. Grey ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

We show that vacancy creation and relativistic spin–orbit coupling play a crucial role in promoting fast Mg-ion conduction of Mg3Bi2.