Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials.

ABSTRACT: The cathode material of a lithium-ion battery is a key component that affects durability, capacity, and safety. Compared to the LiCoO₂ cathode material (the reference standard for these properties), LiNiO₂ can extract more Li at the same voltage and has therefore attracted considerable attention as a material that can be used to obtain higher capacity. As a trade-off, it undergoes pyrolysis relatively easily, leading to ignition and explosion hazards, which is a challenge associated with the application of this compound. Pyrolysis has been identified as a structural phase transformation of the layered rocksalt structure → spinel → cubic rocksalt. Partial substitution of Ni with various elements can reportedly suppress the transformation and, hence, the pyrolysis. It r

SUBMITTER: Yoshimoto Y 

PROVIDER: S-EPMC9136849 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature