• Title of article

    Density functional calculations of structural and electronic properties of a BN-doped carbon nanotube Original Research Article

  • Author/Authors

    N. Krainara، نويسنده , , S. Nokbin، نويسنده , , P. Khongpracha، نويسنده , , Ph.A. Bopp، نويسنده , , J. Limtrakul، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2010
  • Pages
    8
  • From page
    176
  • To page
    183
  • Abstract
    The attachment of a variety of nitrogen nucleophilic groups to BN-doped single wall carbon nanotubes (SWCNTs) was characterized by quantum mechanical calculations at the DFT-level. We found that the binding energies for all systems lie between −6.90 and −
  • Journal title
    Carbon
  • Serial Year
    2010
  • Journal title
    Carbon
  • Record number

    1126438

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1126438