Divalent Cation Doping into SrTiO for Enhancing the Photocatalytic Performance of Water Splitting.

Perovskite SrTiO (STO) is a widely used semiconductor photocatalyst whose photocatalytic activity is significantly influenced by cation doping. In this work, we explore effective divalent dopants to improve the photocatalytic performance of water splitting through both theoretical and experimental approaches. First-principles calculations suggest that divalent Mg and Zn are promising dopants replacing Ti sites of STO to help mitigate charge recombination processes associated with defect levels caused by oxygen vacancies.