In the era of atomic manufacturing, the precise manipulation of atomic structures to engineer highly active catalytic sites has become a central focus in catalysis research. Dual-atom catalysts (DACs) have garnered significant attention for their superior activity, selectivity, and stability compared to single-atom catalysts (SACs). However, a comprehensive review that integrates geometric and electronic factors influencing DAC performance remains limited. This review systematically explores the structure of DAC, addressing key macroscopic parameters, such as spatial arrangements and interatomic distances, as well as microscopic factors, including local coordination environments and electronic structures. Additionally, metal-support interactions (MSI) and long-range interactions (LSI) are comprehensively analyzed, which play a pivotal yet underexplored role in governing DAC behavior. the integration of tailored functional groups is further discussed to fine-tune DAC properties, thereby optimizing intermediate adsorption, enhancing reaction kinetics, and expanding their multifunctionality in various electrochemical environments. This review offers novel insights into their rational design by elucidating the intricate mechanisms underlying DACs' exceptional performance. Ultimately, DACs are positioned as critical players in precision catalysis, highlighting their potential to drive significant breakthroughs across a broad spectrum of catalytic applications.
Keywords: coordination environment; distance enhancement effect; dual‐atom catalysts; electrocatalysis; multifunctional catalysts; optimizing reaction intermediates.
© 2024 Wiley‐VCH GmbH.