Abstract
The hierarchical architecture and non-uniform distribution of charges in the BiOCl photocatalyst can create an intrinsic electric field, which facilitates good separation and transfer of photogenerated carriers. However, BiOCl photocatalyst is not active in the visible-light region due to its wide bandgap, which hinders its photodegradation applications. In this study, we investigated six transition metals (Co, Ni, Fe, W, Mn, and Zr)-doped BiOCl via density functional theory (DFT) to screen excellent photocatalysts, among which Co–BiOCl showed the optimal catalytic performance. The incorporation of Co not only caused a redshift to its absorption band in BiOCl, but also introduced an inherent electric field, which further inhibited the charge carriers from recombination. These synergistic effects resulted in its improved stability and the enhancement photocatalytic degradation of pollutants, especially organic matter, in wastewater.
Published Version
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