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Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 25(11), p. 13353-13370, 2023

DOI: 10.1039/d3ta00532a

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Cation disorder dominates the defect chemistry of high-voltage LiMn<sub>1.5</sub>Ni<sub>0.5</sub>O<sub>4</sub> (LMNO) spinel cathodes

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

Using first-principles calculations, a comprehensive intrinsic defect study on high-voltage spinel LiMn1.5Ni0.5O4 (LMNO) cathode shows that the defect chemistry of this material is dominated by cation antisites and their complexes.