Decoding distance-dependent dual-atom catalysts from structure to function

Abstract

Dual-atom catalysts (DACs) have emerged as a prominent advancement in heterogeneous catalysis, bridging the material gap between single-atom catalysts and nanoparticles. Leveraging synergistic interactions between paired metal atoms, DACs demonstrate superior catalytic activity, selectivity, and stability. Among critical design parameters, the interatomic distance between dual atoms critically influences their electronic structure, coordination environment, and catalytic behavior. However, achieving precise spatial control at the sub-nanometer scale remains a formidable challenge. This review systematically summarizes recent advances in diatomic distance modulation strategies, including steric confinement, interlayer engineering, lattice distortion, and defect anchoring, and elucidates how these approaches optimize the catalytic properties of DACs. Furthermore, we explore the multidimensional effects of atomic spacing on reaction stability, intermediate adsorption, pathway selectivity, and support interactions. By integrating experimental breakthroughs with theoretical modeling, this review establishes a comprehensive framework for the rational design of DACs and presents a roadmap for future innovations in precision catalysis.