Atomically precise gold-based nanoclusters have attracted increasing attention in catalysis owing to their well-defined atomic structures, discretely tunable electronic energy levels, and highly designable surface chemical environments. Serving as an important bridge between molecular complexes and metal nanoparticles, gold nanoclusters not only exhibit outstanding catalytic activity and selectivity, but also provide ideal model systems for elucidating structure-property-reactivity relationships at the atomic level. In recent years, advances in synthetic and characterization techniques have led to remarkable progress in the application of gold nanoclusters in both photocatalytic and thermal catalytic reactions, encompassing selective oxidation and reduction, C−C and C−heteroatom coupling, multicomponent transformations, and asymmetric catalysis. This review systematically summarizes recent developments in gold nanocluster catalysis across different reaction classes, with particular emphasis on the roles of heterometal doping, ligand engineering, and metal-metal cooperative effects in modulating catalytic behavior. Furthermore, fundamental design principles for achieving reaction pathway and selectivity control at the atomic scale are distilled, aiming to provide guidance for the rational development of efficient and sustainable catalytic systems.
Huang et al. (Sun,) studied this question.