Abstract

Nonmetallic doping is considered to be an effective method to regulate the electronic property and improve the photocatalytic activity of heterostructures. Herein, we investigate the photocatalytic mechanism of F-doped g-C3N4 supported by TiO2-B(001) substrate, that is, F@g-C3N4/TiO2-B(001) heterostructures. It is found that if the dopant F atom substitutes pyridine N with lone pair electrons (N2), the induced interfacial charge transfer is from g-C3N4 to TiO2-B(001), whereas the induced interfacial charge transfer is from TiO2-B(001) to g-C3N4 if the dopant F atom substitutes the sp2-hybridized C atom (C1). Thus, the built-in electric field induced by reverse charge transfer between g-C3N4 and the TiO2-B(001) interface plays a completely different role in the directional migration of photocarriers. The FN2@g-C3N4/TiO2-B(001) heterostructure follows a direct Z-scheme photocatalytic mechanism. Differently, the FC1@g-C3N4/TiO2-B(001) heterostructure is a type-II photocatalyst. Although the photocatalytic mechanism of these two heterostructures is different, their optical absorption edge is obviously expanded to the infrared region, and they would become full-spectrum solar light-activated photocatalysts. We believe our findings may provide a reference for regulating the charge transfer direction and the photocatalytic mechanism of heterostructures in the experiment.

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