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.