Structural and electronic properties of MoS2/WS2 heterostructure

Multilayer dichalcogenides of transition metals (TMD) as new two-dimensional semiconductor materials open up opportunities for theoretical and experimental research. Vertically stacked van der Waals heterostructures of transition metal dichalcogenides were recognized as the basis for the creation of new heterostructures. In this work, based on the density functional theory, we investigate the structural and electronic properties of the MoS2/WS2 heterostructure. The aim of this work is to control the band gap in heterostructures in order to find a way to develop high-quality single-layer and heterolayer electronic devices based on transition metal dichalcogenides with a long service life, such as optoelectronic devices and field devices.