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

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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Bibliographic Details
Main Authors: Mariarosaria Tuccillo, Lorenzo Mei, Oriele Palumbo, Ana Belén Muñoz-García, Michele Pavone, Annalisa Paolone, Sergio Brutti
Format: article
Language:EN
Published: MDPI AG 2021
Subjects:
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
Online Access:https://doaj.org/article/551264d8a5884e29a0e1c4b20f98d963
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