Interaction between borophene and graphene on a nanoscale

Abstract

The interface dynamic behavior of borophene is one of the issues that need investigating for its applications. In this paper, the interaction between graphene and borophene, h-BN is investigated. The results show that the interactions between C atoms and B atoms are weaker than those between C atoms and N atoms when graphene slides on h-BN substrate. The corrugation of interface potential between graphene and borophene is smaller than between graphene and h-BN, which implies smaller friction. Moreover, the pull-out force in the simulation system including graphene and borophene is smaller than the interaction between graphene and h-BN, which indicates a weaker boundary effect. Therefore, borophene promises to exhibit an excellent tribological behavior in application.