Experimental and molecular dynamics investigations on Z-scheme visible light Ag3PO4/CuWO4photocatalysts for antibiotic degradation

Abstract

We have developed all-solid-state Z-scheme Ag3PO4/CuWO4 two-component photocatalysts for ciprofloxacin (CIP) and tetracycline degradation under visible light irradiation. Besides the valence/conduction band positions, the adsorption behaviors of the components towards targeted organic moieties were the other factors contributing to this photocatalyst design. Aqueous medium large-scale molecular dynamics (MD) simulations delineated affinities of various species in the reaction medium towards different catalyst surfaces. The photocatalytic activity of the composite changed with the Ag3PO4 amount deposited on CuWO4 nanostructures. XPS analysis showed electron migration from the CuWO4 side to the Ag3PO4 part. Active species analysis by appropriate scavenger molecules revealed the oxidation of antibiotics on the photoexcited holes. A combination of experimental and MD observations helped formulate the probable photocatalytic mechanism. © 2022 Elsevier Ltd.