Enhanced Photocatalytic Water Splitting of SrTiO 3 Perovskite through Cobalt Doping: Experimental and Theoretical DFT Understanding.

Throughout extensive research endeavors, SrTiO 3 has emerged as a promising photocatalytic material for utilizing solar energy and facilitating hydrogen production via water splitting. Yet, the pursuit of enhanced efficiency and amplified hydrogen generation has prompted researchers to delve into the realm of advanced doping strategies. In this work, using experimental characteristics and DFT calculations, we studied the effect of cobalt substitution on the structural, electronic, optical, and magnetic properties as well as the photocatalytic activity of SrTi 1- x Co x O 3-δ ( x = 0, 0.125, 0.25, 0.375, and 0.5) perovskites. The samples were successfully prepared by using the solid-state reaction method. Based on X-ray diffraction and the Rietveld refinement method, the elaborated samples were shown to preserve the absorption range up to the visible region. Moreover, the position of band edge levels after cobalt doping becomes more appropriate for water splitting. Our findings report that all cobalt-doped compounds exhibit good photocatalytic activities and could be used as suitable photocatalyst materials for hydrogen production.