Charge carrier transfer in photocatalysis

Abstract Charge carrier transfer drives photocatalytic reactions. In this chapter, we firstly present a general introduction to the thermodynamics and kinetics of charge carrier transfer in photocatalysis. The Gibbs potential landscape was proposed to elucidate the effect of thermodynamic driving force on photocatalysis and the difference between the roles of photoinduced and heat-induced charge carriers. We mainly discuss the effects of trapping, interparticle connection, and interphasic connection on the charge transfer kinetics of photocatalysis by taking titanium dioxide as a prototype. Thermal activation of charge transfer is also discussed in gas-phase photocatalysis, which shows that decreasing the thermal barrier of charge transfer is a main pathway to increase photocatalytic activity. Theoretical modeling and simulations are good supplements to experimental studies, hence we also summarized our recent works using the phenomenological and Monte-Carlo numerical modeling. Finally, the relation between thermodynamics and kinetics of charge transfer in photocatalysis is discussed.