• 文献标题:   Molecular mechanics investigations of carbon nanotube and graphene sheet interaction
  • 文献类型:   Article
  • 作  者:   SEYDOU M, MARSAUDON S, BUCHOUX J, AIME JP, BONNOT AM
  • 作者关键词:   atomic force microscopy, binding energy, carbon nanotube, graphene, total energy
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Bordeaux 1
  • 被引频次:   17
  • DOI:   10.1103/PhysRevB.80.245421
  • 出版年:   2009

▎ 摘  要

The interaction between a carbon nanotube (CNT) and a graphene sheet is investigated to describe the contact properties between a CNT atomic force microscope (AFM) tip and a graphite surface. The energy of the whole system is calculated using MM+ molecular mechanical modeling. With the numerical calculations, one explores the sliding motion of the CNT on the graphene sheet either at the CNT apex or with a given CNT length contacting the surface. The aim is to mimic the AFM CNT tip scanning a graphite surface. To do so we calculate the energy barriers, the tips have to overcome to achieve a full translation. The results show that the barrier heights markedly depend on the contact length between the CNT and the graphene but show a weak dependence, if any, on the CNT tube diameter.