Unraveling Interfacial Coupling Effects in Cluster Electrocatalysts

Single-atom catalysts (SACs) show promise in electrocatalysis because of their high atom utilization and unique properties. While SACs excel in atom efficiency, their isolated sites are limited to a single binding mode, which impedes the capture and coupling of reactants/intermediates in complex reactions. Atomically precise metal cluster catalysts offer more active sites with size- and shape-dependent physiochemical properties and improved activity/selectivity for intricate catalysis. The interfacial coupling in cluster electrocatalysts significantly impacts their properties and binding behaviors. This review focuses on the impact of interfacial coupling in cluster heterostructures on their geometric/electronic structures and electrocatalytic performance. We explore three key coupling effects, cutting-edge characterization techniques, computational simulations, and recent deployments in various electrocatalytic reactions. We also present the challenges and future directions in cluster electrocatalysts for pivotal sustainable energy conversion processes.