Rapid Photocatalytic Reduction of Hexavalent Chromium over Z-scheme MgIn2S4/BiPO4 Heterojunction: Performance, DFT Calculation and Mechanism Insight.

The accumulation of highly fluid and biotoxic hexavalent chromium (Cr(VI)) impairs water ecosystems. It is urgent to quickly reduce Cr (VI) to trivalent chromium (Cr (III)) in wastewater. Hereby, Z-scheme MgIn2S4/BiPO4 heterojunction was prepared, and MB-30 (mass ratio of BiPO4 to composite) presented a rapid Cr(VI) (10 mg L−1) removal efficiency of 100% within 10 min, its kinetic rate constant was 9.0 and 30.1 folds that of MgIn2S4 and BiPO4, respectively. After four rounds, MB-30 maintained a high removal rate of 93.18% and stabilized crystal texture. First-principles calculations revealed that the formation of Z-scheme heterojunction could ameliorate charge generation, detachment, migration capability, and light utilization. Meanwhile, the coupling of S and O in the two components produced a tight S–O bond, which acted as an atomic-level access to promote carrier migration. The findings were consistent with the structure superiority and optical and electronic properties of MB-30. The Z-scheme pattern was substantiated based on multifarious experiments, which exhibited an elevated reduction potential while emphasizing the significance of interfacial chemical bond and the internal electric field (IEF) on carrier detachment and migration.