Abstract

This study focuses on the use of Au nanoparticles supported on the SrTiO3−δ perovskite doped with Fe ions as a photocatalyst for CO2 reduction and methanol production using water as the hydrogen supplier. The photocatalytic evaluation of the synthesized materials shows that Au nanoparticles supported on the SrTi(1−x)FexO3−δ perovskites can enhance photocatalytic CO2 reduction. The sample with the doping level x = 0.125 has the highest methanol production, 9.5 times more than the undoped sample and 3.5 times more than its counterpart without Au nanoparticles. The results of the DFT + U calculations show that the contributions from the iron atoms states reduce the energy gap in the perovskite composite, SrTi(1−x)FexO3−δ. Additionally, Fe incorporation endows the system with the capacity to create electron–hole pairs via direct band transitions at the high‐symmetry point R with the doping levels of x = 0.125 and x = 0.250.

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