Monoclinic BiPO4: Preparation, photocatalytic properties in experiment and theoretical calculation

Abstract It is of great significance to improve the photocatalytic activity of the existing available materials. The meaningful efforts always make them most close to industrial application. In this work, we modified the morphology and properties of BiPO4 through adding structure-directing agent, polyvinylpyrrolidone. Interestingly, the results of experiment and first principle calculation showed that the carbon was introduced into BiPO4 crystal lattice of BiPO4 due to carbonization of polyvinylpyrrolidone, which modulated the band structure of BiPO4 and formed sub-band between valence band and conduction band. The modified BiPO4 could totally degrade MB dyes under visible light for 30 min. More interestingly, the sub-band triggered non-radiative transition of photoinduced electrons, which further inhibited the recombination of photoinduced carriers, prolonged their lifetime and ultimately boosted the photocatalytic activity. In the process of photocatalytic degradation RhB, reaction rate constant of the modified BiPO4 was more 3 times than that of pure BiPO4.