In this study, we demonstrated that the reactive species generation of Bi2 MoO6 under visible light can be regulated by Bi self-doping via a simple soft-chemical method. Density functional theory calculations and systematical characterization results revealed that Bi self-doping could not only promote the separation and transfer of photogenerated electron-hole pairs of Bi2MoO6 but also alter the position of valence and conduction band without changing its preferential crystal orientations, morphology, visible light absorption as well as band ga...
