Theoretical study on photocatalytic performance of ZnO/C₂N heterostructure towards high efficiency water splitting.

ABSTRACT: The construction of van der Waals heterostructures offers effective boosting of the photocatalytic performance of two-dimensional materials. In this study, which uses the first-principles method, the electronic and absorptive properties of an emerging ZnO/C₂N heterostructure are systematically explored to determine the structure's photocatalytic potential. The results demonstrate that ZnO and C₂N form a type-II band alignment heterostructure with a reduced band gap, and hence superior absorption in the visible region. Furthermore, the band edge positions of a ZnO/C₂N heterostructure meet the requirements for spontaneous water splitting. The ZnO/C₂N heterostructure is known to possess considerably improved carrier mobility, which is advantageous i

SUBMITTER: Liu M 

PROVIDER: S-EPMC9626801 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature