• 文献标题:   Investigation of the interaction between graphene and fullerene C70: a molecular dynamics simulation
  • 文献类型:   Article, Early Access
  • 作  者:   ZHANG DH, LIU ZK, YANG HB, LIANG RQ, SHI JH, LIU AM
  • 作者关键词:   fullerene c70, molecular dynamics simulation, graphene
  • 出版物名称:   INDIAN JOURNAL OF PHYSICS
  • ISSN:   0973-1458 EI 0974-9845
  • 通讯作者地址:   Linyi Univ
  • 被引频次:   0
  • DOI:   10.1007/s12648-020-01740-4 EA APR 2020
  • 出版年:  

▎ 摘  要

Recently, new carbon materials have drawn a wide attention to propel the development of nanotechnology. In this manuscript, the interaction between graphene sheet (GNS) and fullerene C70 has been investigated using force-field-based molecular dynamics simulations. These results show that the fullerene C70 can induce the self-assemble CNS to form a shell-core structure, and the van der Waals interaction and the offset face-to-face pi-pi stacking interaction play an important role in this process. Furthermore, the length of GNS and the number of fullerene C70 should meet some required conditions to guarantee the formation of shell-core configuration. Moreover, the position of fullerene C70 was also discussed in detail.