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J. Choi, A. Manthiram (2004)
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First principles calculations were used to investigate the changes in crystal-structure stability due to localization of metal species in the transition metal layer of LiNi1/3Co1/3Mn1/3O2 in a solid solution that is used as the cathode active material of a Li-ion battery. The covalency of the boundary of each localized domain was investigated between Co–O and Mn–O at the CoO2-MnO2 boundary; there was a notable decrease in covalency. Thus, it was predicted that this could be the origin of cracks due to volume changes in the crystal lattice during charge-discharge cycles.
Ionics – Springer Journals
Published: Apr 16, 2016
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