• 文献标题:   Graphene-Carbon Nanotube Composites
  • 文献类型:   Article
  • 作  者:   SHEKA EF, CHERNOZATONSKII LA
  • 作者关键词:   carbon nanotube, graphene, unrestricted broken spinsymmetry hartreefock approach, atomic chemical susceptibility, computational synthesi, hammer composite, cuttingblade composite, cradle composite
  • 出版物名称:   JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE
  • ISSN:   1546-1955 EI 1546-1963
  • 通讯作者地址:   Peoples Friendship Univ Russian Federat
  • 被引频次:   15
  • DOI:   10.1166/jctn.2010.1546
  • 出版年:   2010

▎ 摘  要

Graphene-carbon nanotubes composites were considered as mono- and/or multiderivative structures when both tubes and graphene served either as main bodies or were attached addends. The composites were synthesized computationally in the framework of the unrestricted broken spin-symmetry approach implemented via the Hartree-Fock approximation. Computed profiles of the atomic chemical susceptibility along the tube and across their body as well as over graphene sheets served as quantified pointers that allowed localising the most active contact zones of interacting partners. Two main groups of the composites, conditionally called hammer and cutting-blade structures were considered. Additionally, a particular cradle-like composite is suggested for an individual graphene sheet to be fixed by a pair of nanotubes.