S. Lardhi

Impact of Intrinsic Defects on the Electronic Structure and Band Alignment of (010) and (001) BiVO4 Surfaces for Photocatalytic Water Splitting: A Hybrid DFT Study

Intrinsic defects and crystal-facet engineering are widely recognized as effective approaches for understanding, controlling, and improving the photocatalytic performance of materials. However, the interplay between the most favorable intrinsic defects and the electronically active exposed facets remains largely unexpl...