Exploring the Mechanisms of LiNiO₂ Cathode Degradation by the Electrolyte Interfacial Deprotonation Reaction.

ABSTRACT: Nickel-rich layered oxides stand as ideal cathode candidates for high specific capacity and energy density next-generation lithium-ion batteries. However, increasing the Ni content significantly exacerbates structural degradation under high operating voltage, which greatly restricts large-scale commercialization. While strategies are being developed to improve cathode material stability, little is known about the effects of electrolyte-electrode interaction on the structural changes of cathode materials. Here, using LiNiO₂ in contact with electrolytes with different proton-generating levels as model systems, we present a holistic picture of proton-induced structural degradation of LiNiO₂. Through ab initio molecular dynamics calculations based on density functional th

SUBMITTER: Zheng Y 

PROVIDER: S-EPMC11492167 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature