Photocatalytic Dye Decomposition over CaMnO3−δ and Pr0.5Ca0.5MnO3: A Combined XPS and DFT Study

In the field of environmental sustainability, development highly efficient photocatalytic under a wide wavelength range with band engineering is regarded as promising strategy to enhance dye degradation. Here, we report on CaMnO3−δ and Pr0.5Ca0.5MnO3 perovskite materials prepared by sol-gel combustion method. From X-ray photoelectron spectroscopy (XPS), particle surfaces both compounds are oxygen deficient, while surface hydroxyl carbonyl groups’ adsorption particles more pronounced. FT-FIR has been used investigate covalent bonds vacancy characteristics. Photocatalytic activities were investigated degradation methylene blue methyl orange UV light. It was observed that molecules degraded over CaMnO3−δ. The underlying mechanisms behind photoexcitation process established via Spin-polarized Density Functional Theory (DFT).