Interlayer friction properties of oxygen-doped hexagonal boron nitride bilayers

¹ School of Physics, State Key Laboratory of Crystal Materials, Shandong University - Jinan 250100, PRC
² R&D center of lubricating and protecting materials, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences - Lanzhou 730000, PRC
³ Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences Beijing 100049, PRC

^(a) bzhang@licp.cas.cn
^(b) wangcm@sdu.edu.cn

Received: 8 June 2019
Accepted: 10 July 2019

Abstract

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.