scheme γ-Fe2O3/g-C3N4 in Photo-Fenton reaction for oxytetracycline degradation: Mechanism study and DFT calculation

With the urbanization and industrialization of the world, the pollution of water due to the misuse of antibiotics is increasing. In this study, a Z-scheme gamma-Fe2O3/g-C3N4 composite photocatalyst was prepared, and the removal efficiency of oxytetracycline (OTC) reached 85.7% within 60 min under the Photo-Fenton reaction system higher than that of g-C3N4 and gamma-Fe2O3. The composite has great anti-interference capability and sustainability, and the recyclability was demonstrated using hysteresis return lines data. The photoelectrochemical characterization was analyzed to investigate the effect of the building of Z-scheme heterojunction on the photogenerated carrier separation efficiency. The charge behavior of heterojunction interfaces was probed in conjunction with DFT calculations, and differential charge maps were used to visualize charge distributions to analyze possible charge transfer pathways. In addition, the active substances in the system were identified by ESR data and capture experiments. The results showed that center dot OH was the dominant active substance for OTC degradation. Meanwhile, LC-MS data combined with Fukui function calculations led to the derivation of a possible degradation pathway dominated by center dot OH. This research provides a reference for subsequent studies of non-homogeneous Photo-Fenton systems and offers a viable option for mitigating OTC pollution in water bodies.