Abstract

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.

Highlights

  • Graphene, a single sheet of graphite, possesses exceptional mechanical properties [1,2], large transparency [3], extraordinary electronic mobility [4], and adaptable electronic properties [5] owing to its unique two-dimensional structure [6,7,8,9,10]

  • This study has examined the ratio of the contact areas between the graphene and the two the degree of disorder near the grain boundary, which disrupted the stick-slip motions and reduced single-crystal surfaces

  • This study has examined the ratio of the contact areas between the graphene and the two were closer to those on the first surface because the lateral force mainly came from the interaction single-crystal surfaces

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Summary

Introduction

A single sheet of graphite, possesses exceptional mechanical properties [1,2], large transparency [3], extraordinary electronic mobility [4], and adaptable electronic properties [5] owing to its unique two-dimensional structure [6,7,8,9,10]. It is a promising material in the field of nanoscale electronics [11,12,13,14]. The friction of graphene is found to be attributable to the Crystals 2019, 9, 418; doi:10.3390/cryst9080418 www.mdpi.com/journal/crystals

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