Destabilization of Single‐Atom Catalysts: Characterization, Mechanisms, and Regeneration Strategies

Abstract Numerous in situ characterization studies have focused on revealing the catalytic mechanisms of single‐atom catalysts (SACs), providing a theoretical basis for their rational design. Although research is relatively limited, the stability of SACs under long‐term operating conditions is equally important and a prerequisite for their real‐world energy applications, such as fuel cells and water electrolyzers. Recently, there has been a rise in in situ characterization studies on the destabilization and regeneration of SACs; however, timely and comprehensive summaries that provide the catalysis community with valuable insights and research directions are still lacking. This review summarizes recent advances in the destabilization mechanisms and regeneration strategies of SACs, specifically highlighting various state‐of‐the‐art characterization techniques employed in the studies. The factors that induce destabilization in SACs are identified by discussing the failure of active sites, coordination environments, supports, and reaction conditions under long‐term operating scenarios. Next, the primary regeneration strategies for SACs are introduced, including redispersion, surface poison desorption, and exposure of subsurface active sites. Additionally, the advantages and limitations of both in situ and ex situ characterization techniques are discussed. Finally, future research directions are proposed, aimed at constructing structure–stability relationships and guiding the design of more stable SACs.