Structural Engineering toward Gold Nanocluster Catalysis

Atomically precise gold nanoclusters provide great opportunities to explore the relationship between the structure and properties of nanogold catalysts. A nanocluster consists of a metal core and a surface ligand shell, and both the core and shell have significant effects on the catalytic properties. Thanks to their precise structures, the active metal site of the clusters can be readily identified and the effects of ligands on catalysis can be disclosed. In this Minireview, we summarize recent advances in catalytic research of gold nanoclusters, emphasizing four strategies for constructing open metal sites, including by post‐treatment, the bulky ligands strategy, the surface geometric mismatch method, and heteroatom doping procedures. We also discuss the effects of ligands on the catalytic activity, selectivity, and stability of gold cluster catalysts. Finally, we present future challenges relating to gold cluster catalysis. Structurally well‐defined gold nanoclusters are promising catalysts, and their molecular nature facilitates the design and controlled synthesis of cluster catalysts. This Minireview summarizes the strategies for constructing active sites and the effects of the ligands on cluster catalysis. The challenges and key future issues regarding catalytic applications of gold nanoclusters are discussed.