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(In)Coherent-bond-networks in Ni-rich layered oxides for durable lithium-ion batteries by Sangho Yoon; Gwanghyeon Choi; Jaewoon Lee; Juncheol Hwang; Duho Kim is a Engineering article available to read on EtoBox.

What is (In)Coherent-bond-networks in Ni-rich layered oxides for durable lithium-ion batteries about?

An intriguing “coherent-bond-network” effect is suggested here for mitigating anisotropic lattice variations inducing micro-cracks, for durable Ni-rich layered cathodes based on Li[Ni10/12Co1/12Mn1/12]O2 (NCM) and Li[Ni10/12Co1/12Ti1/12]O2 (NCT) oxide models in lithium-ion batteries (LIBs). Upon charging, the c and a lattice strains for NCT are lower than those for NCM, implying that mechanical failures are mitigated in the former. Considering that Ni ions are a major component in compensating for the charge imbalance caused by Li deintercalation, the Ni–O bond populations in the deeply charged state reveal a uniform bond network in NCT, relative to the conventional Ni-rich cathode with NiO6 distortion. For deeper insights, the O–O edge populations are calculated for the two oxide models, and the discretized values over the entire crystal framework are observed for NCM, whereas delocalization is shown in NCT. These results underpin the Ti-induced “coherent-bond-network” that smoothly connects the MO6 octahedral network upon charging for Ni-rich layered oxides, where M denotes a transition metal. In addition, the oxide-model-dependent (in)coherent-bond-networks are consistently iden

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Author

Sangho Yoon; Gwanghyeon Choi; Jaewoon Lee; Juncheol Hwang; Duho Kim

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Engineering (Physical Sciences)