• 文献标题:   Tensile properties of a boron/nitrogen-doped carbon nanotube-graphene hybrid structure
  • 文献类型:   Article
  • 作  者:   XIA K, ZHAN HF, WEI Y, GU YT
  • 作者关键词:   doping, graphene, molecular dynamics simulation, nanotube, tension, young s modulu
  • 出版物名称:   BEILSTEIN JOURNAL OF NANOTECHNOLOGY
  • ISSN:   2190-4286
  • 通讯作者地址:   Queensland Univ Technol
  • 被引频次:   18
  • DOI:   10.3762/bjnano.5.37
  • 出版年:   2014

▎ 摘  要

Doping is an effective approach that allows for the intrinsic modification of the electrical and chemical properties of nanomaterials. Recently, a graphene and carbon nanotube hybrid structure (GNHS) has been reported, which extends the excellent properties of carbon-based materials to three dimensions. In this paper, we carried out a first-time investigation on the tensile properties of the hybrid structures with different dopants. It is found that with the presence of dopants, the hybrid structures usually exhibit lower yield strength, Young's modulus, and earlier yielding compared to that of a pristine hybrid structure. For dopant concentrations below 2.5% no significant reduction of Young's modulus or yield strength could be observed. For all considered samples, the failure is found to initiate at the region where the nanotubes and graphene sheets are connected. After failure, monatomic chains are normally observed around the failure region. Dangling graphene layers without the separation of a residual CNT wall are found to adhere to each other after failure with a distance of about 3.4 angstrom. This study provides a fundamental understanding of the tensile properties of the doped graphene-nanotube hybrid structures, which will benefit the design and also the applications of graphene-based hybrid materials.