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Peracetic-acid-based advanced oxidation processes (PAA-AOPs) on metal-free catalysts have emerged as charming strategies for water contaminant removal. However, the involved reactive species and their corresponding active sites are ambiguous. Herein, using carbon nanotube (CNT) as a model carbocatalyst, we demonstrated that, under neutral conditions, the CNT−PAA* complex was the dominant reactive species to oxidize phenolic compounds via electron-transfer process (ETP), whereas the surface-bound hydroxyl radicals (^·OH_surface) played a minor role on the basis of quenching and electrochemical tests as well as Raman spectroscopy. More importantly, the experimental and density functional theory (DFT) calculation results collaboratively proved that the active site for ETP was the sp²-hybridized carbon on the CNT bulk, while that for radical generation was the edge-located hydroxyl group (C−OH …