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A Grain Boundary Regulates the Friction Behaviors between Graphene and a Gold Substrate

The Institute of Technological Sciences, Wuhan University, Wuhan 430072, China
School of Power and Mechanical Engineering, Wuhan University, Wuhan 430072, China
Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48109, USA
Authors to whom correspondence should be addressed.
Crystals 2019, 9(8), 418;
Received: 27 June 2019 / Revised: 28 July 2019 / Accepted: 9 August 2019 / Published: 13 August 2019
(This article belongs to the Special Issue Graphene Mechanics)
PDF [3038 KB, uploaded 13 August 2019]


The nanofriction of graphene is critical for its broad applications as a lubricant and in flexible electronics. Herein, using a Au substrate as an example, we have investigated the effect of the grain boundary on the nanofriction of graphene by means of molecular dynamics simulations. We have systematically examined the coupling effects of the grain boundary with different mechanical pressures, velocities, temperatures, contact areas, and relative rotation angles on nanofriction. It is revealed that grain boundaries could reduce the friction between graphene and the gold substrate with a small deformation of the latter. Large lateral forces were observed under severe deformation around the grain boundary. The fluctuation of lateral forces was bigger on surfaces with grain boundaries than that on single-crystal surfaces. Friction forces induced by the armchair grain boundaries was smaller than those by the zigzag grain boundaries. View Full-Text
Keywords: graphene; nanofriction; grain boundary; molecular dynamics; gold substrate graphene; nanofriction; grain boundary; molecular dynamics; gold substrate

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He, P.; Cao, Q.; Wang, P.; Wang, H.; Zheng, S.; Lei, S.; Liu, S.; Peng, Q. A Grain Boundary Regulates the Friction Behaviors between Graphene and a Gold Substrate. Crystals 2019, 9, 418.

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