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Understanding the quantum-mechanical origins of friction forces has become increasingly important in the past decades with the advent of nanotechnology. At the nanometer scale, the universal Amontons–Coulomb laws cease to be valid, and each interface requires individual scrutiny. Because of the well-known lubricating properties of two-dimensional materials, a significant amount of research has been performed in an effort to understand interfaces they form with one another. However, the interfaces between these two-dimensional materials and metals red from a tribological point of view, important for such applications as friction force microscopy, have yet to be thoroughly investigated. In the current work, we present a detailed density functional theory investigation of the hexagonal BN/Au(111) interface. Because of a good agreement between their characteristic lengths, a high level of commensurability is achieved in a suitably constructed model between the bulk surfaces of the two materials. As a result o...

Nanotribological Properties of the h-BN/Au(111) Interface: A DFT Study