articleNature CommunicationsMar 10, 2025GOLD OA

Robust Fe-N4-C6O2 single atom sites for efficient PMS activation and enhanced FeIV = O reactivity

Central China Normal University · Shanghai Pesticide Research Institute · +4 more institutions

PubMed
Indexed incrossrefdoajpubmed

Abstract

The microenvironment regulation of Fe-N4 single atom catalysts (SACs) critically governs peroxymonosulfate (PMS) activation. Although conventional heteroatom substitution in primary coordination enhances activity, it disrupts Fe-N4 symmetry and compromises stability. Herein, we propose oxygen doping in the secondary coordination shell to construct Fe-N4-C6O2 SAC, which amplifies the localized electric field while preserving the pristine coordination symmetry, thus trading off its activity and stability. This approach suppresses Fe-N bond structural deformation (bond amplitude reduced from 0.875–3.175 Å to 0.925–2.975 Å) during PMS activation by lowering Fe center electron density to strengthen Fe-N bond,…

No related works found for this paper.