articleAdvanced Functional MaterialsJan 28, 2025HYBRID OA

Deciphering the Origin of Higher Shell Coordination on Single Iron Catalysts for Resilient Modulating Persulfate Oxidation Into Singlet Oxygen Pathway

Jiangsu University of Science and Technology · Jiangsu University · +4 more institutions

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Abstract

Abstract Precise manipulation of coordination structure of single‐atom sites and establishment of schematic microenvironment‐oxidation pathway relations remain significant challenges in Fenton‐like chemistry. Herein, incorporating sulfur heteroatoms into the higher coordination shell of FeN 4 structure (Fe‐NSC) exhibited a volcano trend of p ‐hydroxybenzoic acid oxidation, aligning with the number and positions of sulfur dopant. Specifically, higher shell S coordination with moderate electronegativity and larger atomic radii triggers long‐range electronic interactions, which provoke Fe 3d orbital splitting and spin electron rearrangement, resulting in a spin crossover with orbital states d xy 2 d yz 1 d xz 2 d…

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49
total citations
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31.20
Percentile
100%
References
49
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Authors

9

Topics & keywords

Keywords
  • Singlet oxygen
  • Materials science
  • Persulfate
  • Catalysis
  • Oxygen
  • Shell (structure)
  • Oxygen evolution
  • Chemical engineering
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