Manipulate the interfacial friction of χ3-borophene on graphene heterojunction via rotation

Manipulating friction between two-dimensional (2D) material heterojunctions is crucial for their application in microscale functional devices. In this study, we have systematically investigated the frictional properties of chi 3Borophene(Bo)/Bo, Bo/Graphene(Gr), and Bo/Gr(30 degrees) by first-principles calculations. The results indicate that the formation of Bo/Gr heterojunctions indeed reduces interfacial sliding potential energy corrugation of Borophene. Interestingly, friction anisotropy appears when commensurate state forms between Gr and Bo along armchair direction of Bo/Gr heterojunction. In addition, this anisotropy vanishes after rotating the heterojunction with an angle of 30 degrees. The Fourier transformation method is applied to illustrate the commensurability of heterojunctions along specific directions. Finally, the interfacial friction behavior is further confirmed to be consistent with the fluctuation of interfacial charge transfer, which emphasizes the atomic stacking and chemical property of heterojunctions.