Precision surface engineering of atomic scale metal nanocatalysts to enhance reaction activity and stability

Abstract Atomic scale surface engineering of metal nanocatalysts is a key strategy for enhancing their catalytic performance. By precisely controlling the arrangement of surface atoms and their electronic structure, reaction activity, selectivity, and stability can be significantly improved. This review systematically summarizes recent advances in atomic level surface processing, including strategies, such as surface defect engineering, interface regulation, and dynamic encapsulation, and delves into their application mechanisms in fields like electrocatalysis and energy conversion. Nevertheless, challenges persist in this field, including synthetic controllability, tracking of dynamic structural evolution, precise design of active sites, and industrial-scale scaling. Future research must integrate multidisciplinary approaches, such as in situ characterization, theoretical simulations, and artificial intelligence, to advance the rational design and practical application of atomically precise catalysts, thereby providing novel insights for achieving highly efficient and stable energy conversion systems.