• 文献标题:   Silicon/graphene core/shell nanowires produced by self-scrolling
  • 文献类型:   Article
  • 作  者:   XIA D, XUE QZ, XIE J, CHEN HJ, LV C
  • 作者关键词:   graphene nanoribbon, nanowire, selfscrolling, core/shell composite nanowire, molecular dynamics simulation
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:   China Univ Petr
  • 被引频次:   20
  • DOI:   10.1016/j.commatsci.2010.05.053
  • 出版年:   2010

▎ 摘  要

We demonstrate that Silicon (Si) nanowires (NWs) can activate the self-scrolling of planar graphene (GN) nanoribbons by molecular dynamics (MD) simulations. Once the NWs' radius reach a threshold, they can act as an external force that initiate the conformational changes of the GN nanoribbons, and then activate self-scrolling GN onto them. It is found that the van der Waals (vdW) force plays an important role in the formation of the core/shell composite NWs. And this core/shell structures can be used in nanoelectronics, spintronics, hydrogen storage, energy storage in supercapacitors or batteries, and even introduce new functionalities to composite materials. (C) 2010 Elsevier B.V. All rights reserved.