Ligand-induced changes in the electrocatalytic activity of atomically precise Au₂₅ nanoclusters.

ABSTRACT: Atomically precise gold nanoclusters have shown great promise as model electrocatalysts in pivotal electrocatalytic processes such as the hydrogen evolution reaction (HER) and carbon dioxide reduction reaction (CO₂RR). Although the influence of ligands on the electronic properties of these nanoclusters is well acknowledged, the ligand effects on their electrocatalytic performances have been rarely explored. Herein, using [Au₂₅(SR)₁₈]^- nanoclusters as a prototype model, we demonstrated the importance of ligand hydrophilicity versus hydrophobicity in modulating the interface dynamics and electrocatalytic performance. Our first-principles calculations revealed that Au₂₅ protected by hydrophilic -SCH₂COOH ligands exhibits

SUBMITTER: Luo L 

PROVIDER: S-EPMC11759057 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature