Remote tuning of single-atom Fe-N₅ sites via high-coordination defects for enhanced Fenton-like water decontamination.

ABSTRACT: Fe-N₅ single-atom catalysts (SACs) hold great promise for water decontamination, however, the fundamental relationship between their high coordination shell environment and catalytic performance in Fenton-like reactions remains poorly understood. Here, we precisely regulate the high coordination shell defects of a model SAC with well-defined axial Fe-N₅ configurations to elucidate the impact of remote interactions on peroxymonosulfate (PMS) activation. Experimental and theoretical studies confirm that remote modulation of Fe-N₅ sites through high coordination shell defects profoundly enhance Fenton-like catalytic activity, enabling FeN₅-SD₂ to achieve a turnover frequency (TOF) value of 0.338 min⁻¹, surpassing state-of-the-a

SUBMITTER: Jin S 

PROVIDER: S-EPMC12647131 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature