The mechanism of enhanced photocatalytic activity for water-splitting of ReS₂ by strain and electric field engineering.

ABSTRACT: To enhance the photocatalytic water splitting performance of 2D ReS₂, we theoretically propose a feasible strategy to engineer its band structure by applying strain or an electric field. Our calculated results show that the strains greatly tune the electronic structure of ReS₂ especially band gap and band edge positions, because the strains significantly alter the crystal structure and then cause rearrangement of the surface charge. However, electric fields have little influence on band gap but obviously affect the band edge positions. This is because the electric fields have little effect on the crystal structure of ReS₂ but easily produce an in-plane electric dipole moment. The shifts in band edge position mainly arise from competition between the surface

SUBMITTER: Pan J 

PROVIDER: S-EPMC9034362 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature