Cohesive energy in graphene/MoS2 heterostructures

MQ Le, MECCANICA, 52, 307-315 (2017).

DOI: 10.1007/s11012-016-0402-6

We establish a cohesive law between parallel graphene and MoS2 sheets based on their van der Waals interaction with Lennard-Jones (LJ) potential. Cohesive energy, force, stress and binding energy per carbon atom are explicitly expressed in terms of parameters in the LJ potential, distance between graphene and each of three layers in MoS2 sheet, and area density of atoms on each layer. Molecular dynamics simulations are carried out to support analytical results. Analytical results are useful to investigate the interaction between graphene and MoS2 sheets, and to design nanoelectromechanical systems with graphene/MoS2 heterostructures.

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