Atomically precise metal cluster catalysts: mechanism and application

Atomically precise metal clusters are widely applied in industry and biomedicine due to their high catalytic activity, high stability, and excellent biocompatibility. Well-defined structure of clusters enables the regulation of catalytic activity. Favorable biocompatibility facilitates their application in biomedicine. In this paper, we focus on elucidating the core catalytic mechanisms (electrocatalysis, photocatalysis, and biocatalysis) of metal clusters and exploring strategies for precisely regulating activity, including geometric structures adjustment, atom engineering, support modification, and ligand functionalization. Furthermore, their applications in industrial catalysis (oxidation, C-C coupling, hydrogenation, electrocatalysis, and photocatalysis) and biomedicine (biosensing, antioxidant, anti-inflammatory, and antitumor) are highlighted. This lays a theoretical foundation for future research and guides the customized design of atomically precise metal clusters with desired catalytic activity and specificity.