An increase of carrier concentration is one of the most important routes for enhancing the catalytic performance of semiconductor photocatalysts. In this study, the Sillén–Aurivillius oxychloride Bi4NbO8Cl with hole doping was successfully prepared by a solid-state reaction method. X-ray powder diffraction (XRD), scanning electron microscopy (SEM), ultraviolet–visible diffuse reflectance spectra (UV–vis DRS), X-ray photoelectron spectrometry (XPS) and photoluminescence spectra (PL) were used to characterize and analyze the prepared samples. The experimental results and density functional theory calculations demonstrate that hole doping can be formed in Bi4NbO8Cl by inserting zinc into the niobium site, and the photocatalytic activity can be improved by introducing additional holes into Bi4NbO8Cl. The photogenerated hole (h+) is considered to be the main active species to degrade trypan blue (TB) through trapping experiments. The optimal photocatalyst of Bi4Nb0.8Zn0.2O8Cl exhibits excellent photocatalytic activity in degradation of trypan blue under visible light irritation. Moreover, a possible photocatalytic degradation mechanism is discussed according the experimental and analytical results.
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