Rational design of C₂N-based type-II heterojunctions for overall photocatalytic water splitting.

ABSTRACT: Photocatalytic water splitting is a promising method for the production of clean energy and searching for efficient photocatalysts has received extensive attention. Fabricating type-II heterojunctions is an effective approach to improve the photocatalytic efficiency. Based on the band edge positions and lattice parameters, we found that several kinds of monochalcogenide monolayers can be used to fabricate type-II heterojunctions with C₂N monolayers. C₂N/GaTe and C₂N/InTe van der Waals (vdW) heterojunctions were investigated as potential photocatalysts for water splitting by means of first-principles computations. Both are type-II heterojunctions, and could promote the efficient spatial separation of electron-hole pairs. Their band edges straddle water redox

SUBMITTER: Zhang X 

PROVIDER: S-EPMC9473186 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature