• 文献标题:   Formation of carbon nanoscrolls from graphene sheet: A molecular dynamics study
  • 文献类型:   Article
  • 作  者:   ZHANG DH, YANG HB
  • 作者关键词:   graphehe, carbon nanoscroll, molecular dynamic, carbon nanotube
  • 出版物名称:   JOURNAL OF MOLECULAR STRUCTURE
  • ISSN:   0022-2860 EI 1872-8014
  • 通讯作者地址:   Linyi Univ
  • 被引频次:   1
  • DOI:   10.1016/j.molstruc.2016.06.083
  • 出版年:   2016

▎ 摘  要

In recent year, carbon nanoscrolls have attracted intensive attention both in theory and experiments for their unique and excellent fundamental properties and the wide range of potential applications. In this paper, the fabrication of carbon nanoscrolls using graphene and carbon nanotubes has been studied by molecular dynamics (MD) method. The formation mechanism of carbon nanoscrolls has been presented convincing explanations. Furthermore, the position and number of carbon nanotubes also influence the formation of carbon nanoscrolls. Our theoretical results will provide researchers a powerful guide and helpful assistance in designing better targeted programs in experiments. (C) 2016 Elsevier B.V. All rights reserved.