Replacement of Cobalt in Lithium-Rich Layered Oxides by n-Doping: A DFT Study

The replacement of cobalt in the lattice of lithium-rich layered oxides (LRLO) is mandatory to improve their environmental benignity and reduce costs. In this study, we analyze the impact of the cobalt removal from the trigonal LRLO lattice on the structural, thermodynamic, and electronic properties...

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Autores principales:	Mariarosaria Tuccillo, Lorenzo Mei, Oriele Palumbo, Ana Belén Muñoz-García, Michele Pavone, Annalisa Paolone, Sergio Brutti
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	density functional theory Li-ion batteries positive electrodes lithium-rich layered oxides cobalt Technology T Engineering (General). Civil engineering (General) TA1-2040 Biology (General) QH301-705.5 Physics QC1-999 Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/551264d8a5884e29a0e1c4b20f98d963
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Replacement of Cobalt in Lithium-Rich Layered Oxides by n-Doping: A DFT Study

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