Understanding the interfacial tribological behavior of two-dimensional materials is essential for their actual application. In this letter, the tribological properties between two oxygen-doped hexagonal boron nitride nanosheets ( h -BNNSs) are investigated using first-principles calculation. Oxygen atoms can significantly affect the interlayer interaction energy by influencing the geometry and electron distribution of h -BNNS bilayers, thus changing the interlayer friction performance. The interlayer friction depends on the competition between like-magnetostriction and anchoring effects, and high anchoring effect will cause the increase of the interface friction. This result provides theoretical bases for further investigation of the interlayer friction properties of other oxygen-doped two-dimensional materials.
Published in: "EPL".