• 文献标题:   Nanoserpents: Graphene Nanoribbon Motion on Two-Dimensional Hexagonal Materials
  • 文献类型:   Article
  • 作  者:   OUYANG WG, MANDELLI D, URBAKH M, HOD O
  • 作者关键词:   graphene nanoribbon, hexagonal boron nitride hbn, registrydependent interlayer potential, stress distribution, nanoscale friction, lammps
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Tel Aviv Univ
  • 被引频次:   10
  • DOI:   10.1021/acs.nanolett.8b02848
  • 出版年:   2018

▎ 摘  要

We demonstrate snake-like motion of graphene nanoribbons atop graphene and hexagonal boron nitride (h-BN) substrates using fully atomistic nonequilibrium molecular dynamics simulations. The sliding dynamics of the edge pulled nanoribbons is found to be determined by the interplay between in-plane ribbon elasticity and interfacial lattice mismatch. This results in an unusual dependence of the friction-force on the ribbon's length, exhibiting an initial linear rise that levels-off above a junction-dependent threshold value dictated by the pre-slip stress distribution within the slider. As part of this letter, we present the LAMMPS implementation of the registry-dependent interlayer potentials for graphene, h-BN, and their heterojunctions that were used herein, which provides enhanced performance and accuracy.