AgI/CuWO4 Z-scheme photocatalyst for the degradation of organic pollutants: Experimental and molecular dynamics studies
2021
Jatav, Neha | Kuntail, Jyoti | Khan, Danish | Kumar De, Arup | Sinha, Indrajit
While the knowledge of the adsorption properties of components of a composite heterogeneous photocatalyst is critical to its applicability to a particular reaction, there has been little research in this direction. The present research is on the development of AgI/CuWO₄ nanocomposites that photocatalytically degraded ciprofloxacin and rhodamine B in an aqueous medium under visible light irradiation. The nanocomposites were prepared by a step-wise precipitation protocol. XPS analysis and active species trapping experiments demonstrated that the photocatalysis proceeded by a Z-scheme mechanism. Large scale aqueous medium molecular dynamics simulations showed that oxygen and CIP adsorb on the AgI part, while water interacts intensely with the CuWO₄ component. Information from experimental and molecular dynamics studies was combined to arrive at the photocatalysis mechanism.
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