Mechanical properties of MoS2/graphene heterostructures

Abstract

We perform classic molecular dynamics simulations to comparatively investigate the mechanical properties of single-layer MoS2 and a graphene/MoS2/graphene heterostructure under uniaxial tension. We show that the lattice mismatch between MoS2 and graphene will lead to an spontaneous strain energy in the interface. The Young's modulus of the heterostructure is much larger than that of MoS2. While the stiffness is enhanced, the yield strain of the heterostructure is considerably smaller than the MoS2 due to lateral buckling of the outer graphene layers owning to the applied mechanical tension.