ReviewMolecules (Basel, Switzerland)2026
Dynamic Coordination Microenvironments of Fe Single-Atom Catalysts in Advanced Oxidation Processes: From Working-State Evolution to Pathway-Selective Regulation.
Review in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Iron single-atom catalysts (Fe-SACs) offer an atomically defined platform for peroxide-based advanced oxidation, yet their reactivity is still frequently rationalized using coordination structures measured only before or after catalysis. Such static descriptors identify precursor sites but do not necessarily resolve the Fe configurations that carry turnover. This Review establishes a dynamic coordination framework that distinguishes resting structures, reaction-induced working states, and irreversible deactivation products. It examines how first-shell coordination, axial ligation, extended microenvironments, neighboring sites, and interfacial solvation govern the formation and interconversion of peroxide-bound, hydroxy, Fe-oxo, and electronically coupled Fe-oxidant states. Radical, high-valent Fe-oxo, singlet-oxygen, and interfacial electron-transfer pathways are treated as competing catalytic fluxes emerging from a shared working-state landscape rather than as fixed attributes of individual Fe-N
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