Electronic properties of bilayer graphene/Janus MoSTe heterostructure

A notable feature of 2D materials is their ability to form van der Waals heterostructures, enabling tailored electronic properties. Among these, Janus TMDs, with their asymmetric structure and dipole moment, exhibit unique properties like piezoelectricity, Rashba effect, and catalytic activity. In this study, we have performed density functional theory (DFT) calculations to investigate the electronic properties of a heterostructure composed of bilayer graphene (BLG) and a Janus MoSTe monolayer, focusing on the difference in interfacial contact behaviors between them. Our calculations indicate that the Dirac cone in BLG within the BLG/Janus MoSTe heterostructure opens due to electron transfer at the metal-semiconductor interface and the electric field generated by the asymmetry of Janus MoSTe. Depending on the contact orientation, this interaction results in BLG's bandgaps of 46 meV and 70 meV, respectively, highlighting the tunability and potential applications of BLG/Janus TMD heterostructures in optoelectronic devices.