Enhanced Photocatalytic Water Splitting of SrTiO3 Perovskite through Cobalt Doping: Experimental and Theoretical DFT Understanding

Throughout extensive research endeavors, SrTiO3 hasemerged as a promising photocatalytic material for utilizing solarenergy and facilitating hydrogen production via water splitting. Yet,the pursuit of enhanced efficiency and amplified hydrogen generationhas prompted researchers to delve into the realm of advanced dopingstrategies. In this work, using experimental characteristics and DFTcalculations, we studied the effect of cobalt substitution on thestructural, electronic, optical, and magnetic properties as well asthe photocatalytic activity of SrTi1-x Co x O3-& delta; (x = 0, 0.125, 0.25, 0.375, and 0.5) perovskites.The samples were successfully prepared by using the solid-state reactionmethod. Based on X-ray diffraction and the Rietveld refinement method,the elaborated samples were shown to preserve the absorption rangeup to the visible region. Moreover, the position of band edge levelsafter cobalt doping becomes more appropriate for water splitting.Our findings report that all cobalt-doped compounds exhibit good photocatalyticactivities and could be used as suitable photocatalyst materials forhydrogen production. Boostingthe water splitting performance of SrTiO3 by cobalt dopingstrategy.

Automated summary

Through experimental characterization and DFT calculations, we found that cobalt doping can enhance the photocatalytic activity of SrTiO3 and improve the efficiency of hydrogen production via water splitting. The doped samples showed a wider absorption range in the visible region and more suitable band edge positions for water splitting. Therefore, cobalt-doped SrTiO3 exhibits good photocatalytic activity and can be used as a suitable material for hydrogen production.