The n-type and p-type conductivity mechanisms of the bulk BiOCl photocatalyst from hybrid density functional theory calculations

Abstract

could form the p-type conductivity in BiOCl under Cl-rich growth conditions and enhance the p-type conductivity under O-rich growth conditions. This helps to understand the p-type conductivity behavior reported or mentioned in BiOCl in many experiments. At the same time, we found that Group II elements Ca and Sr are superior p-type doping elements for BiOCl under the Cl-rich and O-rich growth conditions. The defect physics in the bulk BiOCl photocatalyst is well understood. This work may inspire more magnificent studies on developing BiOCl-based photocatalysts.

Topics & Concepts