• 文献标题:   Defect-driven rotating system based on a double-walled carbon nanotube and graphene
  • 文献类型:   Article
  • 作  者:   LIN XT, HAN Q
  • 作者关键词:   carbon nanotube, molecular dynamic, rotate, defect
  • 出版物名称:   JOURNAL OF MOLECULAR MODELING
  • ISSN:   1610-2940 EI 0948-5023
  • 通讯作者地址:   South China Univ Technol
  • 被引频次:   2
  • DOI:   10.1007/s00894-019-4119-z
  • 出版年:   2019

▎ 摘  要

A nanoscale rotating system that consists of a double-walled carbon nanotube (DWCNT) and graphene and is driven by a defect in the graphene is proposed, and its rotating dynamics and driving mechanism are investigated through molecular dynamics simulations. A potential energy difference caused by the presence of the vacancy defect on the graphene substrate causes the outer tube in the DWCNT to stably rotate in a specific direction. The rotational speed of the outer tubem initially increases before reaching a stable speed. This phenomenon indicates that the driving torque is a difference between the sides of the outer tube in the van der Waals potential; this difference in potential is caused by the presence of the defect in the graphene. In addition, the effects of the system temperature, the radius and chiral vectors of the DWCNT, and the location of the defect in the graphene are investigated. The theoretical work reported here should provide a reference for the design of motion systems based on carbon nanotubes and graphene and their applications.