First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO₂.

ABSTRACT: Cathode degradation of Li-ion batteries (Li⁺) continues to be a crucial issue for higher energy density. A main cause of this degradation is strain due to stress induced by structural changes according to the state-of-charge (SOC). Moreover, in solid-state batteries, a mismatch between incompatible cathode/electrolyte interfaces also generates a strain effect. In this respect, understanding the effects of the mechanical/elastic phenomena associated with SOC on the cathode performance, such as voltage and Li⁺ diffusion, is essential. In this work, we focused on LiCoO₂ (LCO), a representative LIB cathode material, and investigated the effects of biaxial strain and hydrostatic pressure on its layered structure and Li⁺ transport properties through fi

SUBMITTER: Zhou Z 

PROVIDER: S-EPMC10685353 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature