Oxygen Vacancy Engineering and Constructing Built‐In Electric Field in Fe‐g‐C3N4/Bi2MoO6 Z‐Scheme Heterojunction for Boosting Photo‐Fenton Catalytic Degradation Performance of Tetracycline

Abstract A novel Fe‐g‐C 3 N 4 /Bi 2 MoO 6 (FCNB) Z‐scheme heterojunction enriched with oxygen vacancy is constructed and employed for the photo‐Fenton degradation of tetracycline (TC). The 2% FCNB demonstrates prominent catalytic performance and mineralization efficiency for TC wastewater, showing activity of 8.20 times greater than that of pure photocatalytic technology. Density‐functional theory (DFT) calculations and degradation experiments confirm that the formation of Fe‐N 4 sites induces spin‐polarization in the material, and the difference in Fermi energy levels results in the formation of built‐in electric field at the contact interface, which facilitates the continuous generation and migration of photogenerated carriers to address the issue of insufficient cycling power of Fe (III)/Fe (II).The reactive radicals persistently target the extremely reactive sites anticipated by the Fukui function, causing the mineralization of TC molecules into “non‐toxic” compounds through processes of hydroxylation, demethylation, and deamidation. This work holds significant importance in the domain of eliminating organic pollutants from water.