Designing Robust Single Atom Catalysts by Three‐in‐One Strategy: Sub‐1‐nm Space Confining, Bimetallic Bonding and Reaction‐Induced Forming Active Sites

Abstract It is imperative to design robust single atom catalysts (SACs) that maintain the stability of the active component under diverse reaction conditions and prevent aggregation or deactivation. Confining the single atom active site within sub‐nanometer (sub‐1‐nm) spaces has proven effective in enhancing the stability and activity of the catalyst, owing to the strong constraints and regulations imposed on atomic behavior at this scale. Bimetallic bond atomic sites, comprising two distinct metal compositions, often exhibit unique electronic structures and catalytic properties. Designing SACs under reaction‐induced conditions, such as varying temperatures, pressures, and atmospheres, can facilitate a deeper understanding of the formation and migration behavior of active sites in real reactions, as well as the optimization mechanisms for performance enhancement. The objective of this review is to promote a robust SAC design strategy that encapsulates bimetallic bonding active sites within sub‐1‐nm spaces and investigates catalyst preparation and performance under reaction‐induced conditions. This design strategy is anticipated to bolster the catalytic activity and stability of the catalyst while also offering fresh perspectives and optimization avenues for the catalytic processes involved in practical chemical reactions.