Rational Design of Copper Nanoclusters for Catalytic Applications

Abstract This review aims to integrate advancements in the rational design of Cu nanoclusters (NCs) from the past decade. Atomically precise Cu NCs have emerged as promising materials for highly active catalysis, due to their low cost and high efficiency as well as well-defined structures. The absolute monodispersity of Cu NCs provides direct insights into fundamental catalytic research, including the identification of active sites, the establishment of structure–activity relationships at atomic level, the modulation of metal-kernel structures and ligands for selectivity, and the exploration of catalytic mechanisms. In this review, we summarize strategies for developing Cu NC catalysts, including ligand engineering, oxidation state modulation, heteroatom doping, and theoretical prediction. Subsequently, we sum up the fast-growing advances of Cu NCs catalysts in terms of catalytic activities, identification of active sites and fundamental mechanisms. The catalytic applications mainly involve electrocatalysis, photocatalysis, and organic transformations. Finally, we provide comprehensive commentaries on the challenges and future perspectives in rational design of Cu NCs and its commercialization as catalysts.