Strain-tunable electronic structure and anisotropic transport properties in Janus MoSSe and g-SiC van der Waals heterostructure

Abstract

The van der Waals heterostructures (vdWHs) create a multi-purpose platform to design unique structures for efficient photovoltaic and optoelectronic applications. In this study, on the basis of the first-principles calculations, we present a type-II semiconducting MoSSe/g-SiC vdWH with a moderate bandgap value of 1.31 eV. In particular, the large conduction band offset of 1.18 eV and valence band offset of 0.90 eV are distinguished, which can act as powerful driving forces to promote interlayer charge transfer. Moreover, MoSSe/g-SiC vdWH possesses high carrier mobilities and anisotropic transport properties with a larger transport current along the zigzag direction. More importantly, tensile strain can transform indirect into direct band gap and enhance the visible-light absorption while sustaining type-II band alignment. These results reveal the new physical nature of MoSSe/g-SiC vdWH and demonstrate its practical application potential in photovoltaics and optoelectronic nanodevices.