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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

Jiayi Cen, Bonan Zhu, Seán R. Kavanagh, Alexander G. Squires, David O. Scanlon

2023Journal of Materials Chemistry A34 citationsDOIOpen Access PDF

Abstract

Using first-principles calculations, a comprehensive intrinsic defect study on high-voltage spinel LiMn 1.5 Ni 0.5 O 4 (LMNO) cathode shows that the defect chemistry of this material is dominated by cation antisites and their complexes.

Topics & Concepts

SpinelCathodeMaterials scienceCrystal chemistryInorganic chemistryCrystallographyChemistryMetallurgyPhysical chemistryCrystal structureAdvancements in Battery MaterialsSemiconductor materials and devicesFerroelectric and Piezoelectric Materials
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 | Litcius