Weijun Tian

Altering the generation route of reactive species is a potent means to augment the photocatalytic activity. In this study, MoS ₂ /MIL‐101(Fe) S‐scheme heterojunction (MF2) is prepared using a water/solvent thermal method for photocatalytic degradation of chlorsulfuron. Driven by the internal electric field, the local electron density of MF2 is redistributed, thus enhancing the adsorption of O ₂ . This promoted charge transfer to generate e ⁻ , •, and H ₂ O ₂ for efficient oxidation of chlorsulfuron. It is confirmed that photogenerated electrons and long‐lifetime reactive species (• and H ₂ O ₂ ) played a major role. The degradation activity of MF2 for chlorsulfuron is much higher than MoS ₂ (42.21 times) and MIL‐101(Fe) (4.06 times). The charge transfer mechanism of the MF2 S‐scheme heterojunction is verified by experimental studies and Density Functional Theory simulation calculations. In addition, MF2 exhibited great potential for practical applications. This work provided new insights into the construction of S‐scheme heterojunctions and long‐lifetime reactive species‐dominated conversion mechanisms.