Construction of Z-scheme Ag/AgVO3/carbon-rich g-C3N4 heterojunction for enhanced photocatalytic degradation of sulfamethiadiazole: DFT calculation and mechanism study

A novel Z-scheme Ag/AgVO3/carbon-rich g-C3N4 heterojunction with excellent solar-light-driven photocatalytic activity was constructed via a facile hydrothermal-calcining method. The Ag/AgVO3/carbon-rich g-C3N4 composites displayed superior performance for the photocatalytic degradation of sulfamethiadiazole (SFZ) under solar irradiation. The optimal composite with a 10 wt% Ag/AgVO3 content showed the highest photocatalytic activity, its degradation rate constant (k) for SFZ degradation was ~13 and 30 times than that of carbon-rich gC3N4 (CCN) and Ag/AgVO3, respectively. Furthermore, & BULL;O-2(-) was identified as the most crucial reactive species in the Z-scheme photocatalysis system. The greatly improved photocatalytic activities are derived from the built-in electric field (BIEF) of CCN and efficient Z-scheme charge transfer with Ag nanoparticles as charge transmission bridge. The possible photocatalytic degradation mechanism and pathway over Ag/AgVO3/carbon-rich g-C3N4 were proposed based on LC-MS analysis and density functional theory (DFT) calculation, and the toxicity of intermediates was evaluated by Quantitative structure-activity relationship (QSAR) based prediction. In summary, this work provides new insight into constructing highly efficient Z-scheme photocatalyst, which is promising for implementation in surface water remediation.

Automated summary

A novel Z-scheme Ag/AgVO3/carbon-rich g-C3N4 heterojunction with excellent solar-light-driven photocatalytic activity was prepared. The optimal composite with a 10 wt% Ag/AgVO3 content showed the highest photocatalytic activity, with a degradation rate constant (k) for SFZ degradation significantly higher than carbon-rich gC3N4 (CCN) and Ag/AgVO3. & BULL;O-2(-) was identified as the most crucial reactive species in the Z-scheme photocatalysis system. The improved photocatalytic activity is attributed to the built-in electric field of carbon-rich g-C3N4 and efficient charge transfer with Ag nanoparticles.