Investigation of the Mechanical Properties of Boron-Doped Graphene By Molecular Dynamics Simulation

In this paper, we aimed to examine mechanical properties of one-layer boron-doped graphene sheet compared to defect-free graphene, using the molecular dynamics (md) simulations. we observed that the fracture stress, failure strain and young’s modulus of boron-doped graphene are decreased by increasing the concentration of boron atoms. as a result, failure behavior of graphene changes form ductile to brittle