A novel energy-dependent p-semiconductor-metal-n-semiconductor heterojunction for selectively steering charge flow in a Z-scheme photocatalyst

Using first-principles methods, we proposed a p-m-n heterojunction as an efficient Z-scheme photocatalyst design with energy-dependent charge delivery, where the opposite band-bending trends at the p-m and m-n interfaces would enable the selective steering of low-energy charges from two semiconductors to the intermediate metal, while keeping the high-energy electrons and holes in the individual semiconductors for driving reduction and oxidation reactions separately.