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First-Principles Investigation on the Tribological Properties of h-BN Bilayer Under Variable Load

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Abstract

Using first-principles method, for h-BN bilayer, we successfully probe the major factors of different low-friction paths in the three-dimensional potential energy surface (3D-PES) under variable loads. By means of the static PES and charge density difference analysis, we demonstrate how electrostatic interactions, with regard for van der Waals contributions at 0 nN, progressively impact the shape of 3D-PES and low-friction paths with increasing the normal load. Herein, the sliding properties of h-BN bilayers have a distinct relative orientation. Especially, the load-induced 3D-PES with variable shape is assigned to the band gap and repulsive van der Waals force. It is noted that the low friction not only is obtained for the commensurate layers under low loads, but also high ones.

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Acknowledgements

This work is supported by the National Natural Science Foundation of China (Grant No. 51605336), the Foundation of the Department of Education of Guizhou province (Grant Nos. KY [2016] 009 and KY [2016] 106), the Key Research Program of Frontier Sciences, CAS (Grant Nos. QYZDY-SSW-JSC009 and U1737214), and Provincial Key Disciplines of Chemical Engineering and Technology in Guizhou Province (No. ZDXK[2017] 8).

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Authors and Affiliations

  1. Research Center of Material and Chemical Engineering, School of Material and Chemical Engineering, Tongren University, Tongren, 554300, People’s Republic of China

    Renhui Zhang & Juan Zhao

  2. Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, 315201, People’s Republic of China

    Renhui Zhang & Jibin Pu

  3. State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemicals Physics, Chinese Academy of Sciences, Lanzhou, 730000, People’s Republic of China

    Zhibin Lu

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  1. Renhui Zhang
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Zhang, R., Zhao, J., Pu, J. et al. First-Principles Investigation on the Tribological Properties of h-BN Bilayer Under Variable Load. Tribol Lett 66, 124 (2018). https://doi.org/10.1007/s11249-018-1078-y

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