• DocumentCode
    1663384
  • Title

    Theoretical study on the peanut-shaped dimers and nanotubes consisted of C50 cages

  • Author

    Bai, Hongcun ; Huang, Yuanhe

  • Author_Institution
    Coll. of Chem., Beijing Normal Univ., Beijing, China
  • fYear
    2010
  • Firstpage
    594
  • Lastpage
    595
  • Abstract
    The structures and electronic properties of the peanut-shaped dimers and the nanotubes consisted of C50 cages are investigated using the ab initio self-consistent field molecular and crystal orbital calculations. It is found that the peanut-shaped dimers have lower energy than the dumbbell-shaped dimers. The nanotubes are semiconductors according to the calculated band structures.
  • Keywords
    SCF calculations; ab initio calculations; band structure; fullerenes; semiconductor nanotubes; C50; ab initio self-consistent field molecular calculation; band structures; cages; crystal orbital calculation; dumbbell-shaped dimers; electronic properties; nanotubes; peanut-shaped dimers; Bonding; Carbon nanotubes; Chemistry; Computational modeling; Electrons; Nanoscale devices; Orbital calculations; Organic materials; Skeleton; Stability;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Nanoelectronics Conference (INEC), 2010 3rd International
  • Conference_Location
    Hong Kong
  • Print_ISBN
    978-1-4244-3543-2
  • Electronic_ISBN
    978-1-4244-3544-9
  • Type

    conf

  • DOI
    10.1109/INEC.2010.5424767
  • Filename
    5424767
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=1663384