Vacancy enhanced Li, Na, and K clustering on graphene.

ABSTRACT: The formation of metallic dendrites during battery cycling is a persistent challenge for alkali metal-ion batteries, reducing cycle life and posing safety risks. Although surface defects are often implicated in inhomogeneous metal nucleation, the atomic-scale mechanisms by which they promote metal clustering and subsequent dendrite formation remain poorly understood. Here, we use first-principles calculations to investigate how carbon monovacancies (V_C) influence the clustering behaviour of alkali metals (Li, Na, and K) on graphene - a common basal-plane motif in graphite, hard carbons, and graphene-based anodes. Clusters of Li, Na, and K of varying size (M _n for n ∈ {1-12}) are characterised on pristine and defective graphene to understand their stabili

SUBMITTER: Cottom J 

PROVIDER: S-EPMC12013468 | biostudies-literature | 2025 May

REPOSITORIES: biostudies-literature