Effect of defects on mechanical properties of planar h-BN-graphene heterostructure

In this paper, a novel planar graphene/h-BN heterostructure (PG/h-BN) is established. The geometric defects were created in the novel planar graphene/h-BN heterostructure. The mechanical properties of PG/h-BN in the presence of geometric defects have been studied, and the effects of dimensions and positions of geometric defects on mechanical properties have also been investigated by using molecular dynamics method. The results show that mechanical properties of defective PG/h-BN decrease with the increase in the diameter of the geometric defects. Meanwhile, planar heterojunction with square nanoholes are more prone to stress concentration than planar heterojunction with circular nanoholes. In addition, in the presence of geometric defects, the failure strain and strength of planar heterojunction more affected by geometric defects, and the degree of influence is greater than Young's modulus. It is very important for the defects to regulate the physical properties of planar heterojunctions.