Croton macrostachyus Leaf Extract-Mediated Green Synthesis of ZnO Nanoparticles and ZnO/CuO Nanocomposites for the Enhanced Photodegradation of Methylene Blue Dye with the COMSOL Simulation Model.

The photodegradation of organic pollutants using metal oxide-based catalysts has drawn great attention as an effective method for wastewater treatment. In this study, zinc oxide nanoparticles (ZnO NPs) and zinc oxide/copper oxide nanocomposites (ZnO/CuO NCs) were fabricated using the leaf extract of Croton macrostachyus as a nontoxic, natural reducing and stabilizing agent. The synthesized samples were characterized by employing X-ray diffraction, microscopic, spectroscopic, and electrochemical methods. The results confirmed the successful synthesis of ZnO NPs and ZnO/CuO NCs with well-defined crystalline structures and morphologies. The prepared samples were tested for the photodegradation of methylene blue (MB) dye under visible light irradiation. Compared to ZnO NPs, ZnO/CuO NCs showed greatly improved photocatalytic performances, particularly with the sample prepared with the 20 mol % Cu precursor (97.02%). The enhancement could be related to the formed p-n heterojunction, which can suppress the recombination of charge carriers and extend the photoresponsive range. A theoretical study of the photocatalytic activity of ZnO/CuO NCs against MB dye degradation was also conducted by using COMSOL Multiphysics software. The results of the simulation are in reasonable agreement with those of the experiment. This study contributes to the development of sustainable and effective photocatalytic materials that are suitable for application in environmental remediation, particularly in the treatment of wastewater.