Tribological behavior of graphene/h-BN vdW heterostructures: the role of defects at the BN layer.

Molecular dynamics simulations and first principles calculations were performed to study the tribological behavior of graphene/h-BN (G/h-BN) heterostructures with vacancy and Stone-Wales (SW) defect under uniform normal load, revealing the mechanism of the effect of defect types on friction, and discussing the coupling effect of temperature and interfacial defects on the tribological behavior of G/h-BN heterostructures. Under the normal force of 0.2 nN/atom, the friction force of the four systems is 0.