Highly efficient activation of peroxymonosulfate by the (3R + 2H)-CuFeO2 nanocomposite photocatalyst: Intermediate toxicity, BVS validation ionic migration and degradation pathway

The degradation of carbamazepine (CBZ) by activated peroxymonosulfate (PMS) using the (3R + 2H)-CuFeO 2 nanocomposite photocatalyst was investigated in this work. The (3R + 2H)-CuFeO 2 were prepared by hydrothermal method at 160°for 15 h utilizing ferrous sulphate heptahydrate (FeSO 4 ·7H 2 O) and copper (II) sulphate (CuSO 4 ·5H 2 O) as raw materials. Meanwhile, the (3R + 2H)-CuFeO 2 was characterized and analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), isothermal nitrogen adsorption (BET), and X-ray energy spectroscopy (EDS). The best removal effectiveness was 85.96% when critical factors such as the starting pH value, catalyst dosage, and PMS quantity were turned. The action of anions was then investigated further. The high catalytic efficiency was due to the synergistic impact of Fe 3+ /Fe 2+ and Cu 2+ /Cu + redox cycles. The plausible CAZ breakdown routes were postulated based on the results of the liquid chromatograph-mass spectrometer (LC-MS). Finally, we have studied the most probable of cation migration by the 3DBVSMAPPER program and BVEL calculation concept to correlate the structural characteristics of both materials and their ionic conductivity . The formed channel shows the uniform transport of ions, which can optimize the solid–liquid interface, hinder the influence of water molecules on the material, and protect the material.