Electronic structure regulation of Fe single atom coordinated nitrogen doping MoS₂ catalyst enhances the Fenton-like...

An efficient cathode for a Fenton-like reaction based on hydrogen peroxide (H₂O₂) has significant implications for the potential application of the advanced oxidation process. However, the low H₂O₂ selectivity and efficient activation remain challenging in wastewater treatment. In the present study, a single Fe atom doped, nitrogen-coordinated molybdenum disulfide (Fe₁/N/MoS₂) cathode that exhibited asymmetric wettability and self-absorption molecular oxygen was successfully prepared for pollutant degradation. The X-ray absorption near-edge structure and extended X-ray absorption fine structure of Fe₁N₃ in the Fe₁/N/MoS₂ catalyst were determined. The electronic structure demonstrated favorable H₂O₂ selectivity (75%) in a neutral solution and the cumulative hydroxyl radical concentration was 14 times higher than the pure carbon felt. After 10 consecutive reaction experiments, the removal ratio of paracetamol still reached 97%, and the catalytic performance did not decrease significantly. This work deeply understands the catalytic mechanism of Fenton-like reaction between single Fe atom and MoS₂ double reaction sites, and proves that the regulation of the electronic structure of Fe single atom is an effective strategy to improve the activity of Fenton-like reaction.