Abstract
The interfacial contact between graphene and Janus MoSSe monolayer was investigated using first-principles calculations. Results show that the intrinsic electronic properties of the freestanding graphene and Janus MoSSe monolayer are well preserved in the van der Waals (vdW) graphene/MoSSe heterostructures. An n-type Schottky contact is formed in the interface of graphene and Janus MoSSe monolayer with a Schottky barrier height (SBH) of 0.07 eV. The SBH can be tuned by the external electric field and in-plane mechanical strain. SBH decreases with the increase of positive electric field and tensile strain. The n-type Schottky contact transfers to the Ohmic contact when the applied electric field is larger than 0.4 V/Å or the tensile strain exceeds 8%. These results can provide helpful guide in the design of nanoscale devices based on the vdW heterostructures.
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