{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["9(10)"],"submitter":["Cottom J"],"pubmed_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<sub>C</sub>) 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 <sub><i>n</i></sub> for <i>n</i> ∈ {1-12}) are characterised on pristine and defective graphene to understand their stabili"],"journal":["Sustainable energy & fuels"],"pagination":["2813-2826"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12013468"],"repository":["biostudies-literature"],"pubmed_title":["Vacancy enhanced Li, Na, and K clustering on graphene."],"pmcid":["PMC12013468"],"pubmed_authors":["Cai Q","Olsson E","Cottom J"],"additional_accession":[]},"is_claimable":false,"name":"Vacancy enhanced Li, Na, and K clustering on graphene.","description":"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<sub>C</sub>) 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 <sub><i>n</i></sub> for <i>n</i> ∈ {1-12}) are characterised on pristine and defective graphene to understand their stabili","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 May","modification":"2026-06-04T14:49:19.639Z","creation":"2026-05-10T03:11:33.525Z"},"accession":"S-EPMC12013468","cross_references":{"pubmed":["40276783"],"doi":["10.1039/d5se00130g"]}}