Band offset engineering at C₂N/MSe₂ (M = Mo, W) interfaces.

ABSTRACT: Stacking layered two-dimensional materials in a type-II band alignment block has provided a high-performance method in photocatalytic water-splitting technology. The key parameters in such heterostructure configurations are the valence and conduction band offsets at the interface, which determine the device performance. Here, based on density functional theory calculations, the bandgap and band offsets at C₂N/MSe₂ (M = Mo, W) interfaces have been engineered. The main findings demonstrate that the C₂N monolayer interacts with both MoSe₂ and WSe₂ monolayers through weak van der Waals interactions. These heterostructures possess a narrower indirect bandgap and a typical type-II heterostructure feature, being suitable for promoting the sep

SUBMITTER: Slassi A 

PROVIDER: S-EPMC9019558 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature