Advertisement

INFLUENCE OF IMPURITIES AND DEFECTS ON ELECTRONIC STRUCTURE OF CARBON NANOTUBES

Part of the NATO Science for Peace and Security Series C: Environmental Security book series (NAPSC)

Abstract

The influence of vacancies and defects on equilibrium configuration and electronic structure of single-wall carbon nanotubes is investigated. In the framework of semi-empirical PM3-method the IR and UV absorption spectra of fragment (12, 0)-tube C192 and of the same fragment with the vacancies of simplest kinds and with Stone-Wales defect are calculated.

Keywords

nanotubes defects and vacancies quantum-chemical calculations IR and UV spectra 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    1. A.H. Nevidomskyy, G. Csanyi, M.C. Payne. Phys. Rev. Lett. 2003, 91: 105502PubMedCrossRefADSGoogle Scholar
  2. 2.
    K.N. Nicolski, A.S. Baturin, V.S. Bormashov, et al. Field emission investigation of carbon nanotubes doped by different metals. Proceedings of ICHMS'2003. NATO Science Series, ed. by T.N. Veziroglu et al., 2004, 172: 123–130Google Scholar
  3. 3.7
    3. P. Ajayan, V. Ravikumar, J. Charlier. Phys. Rev. Lett. 1998, 81: 1437CrossRefADSGoogle Scholar
  4. 4.
    4. D. Orlikowski, M. Nardelli, J. Bernholc, C. Roland. Phys. Rev. 2000, B61: 14194ADSGoogle Scholar
  5. 5.
    5. T. Belytschko, S. Xiao, G. Schatz, R. Ruoff. Phys. Rev. 2002, B65: 235430ADSGoogle Scholar
  6. 6.
    6. S. Mielke, D. Troya, S. Zhang, J. Li, S. Xiao, et al. Chem. Phys. Lett. 2004, 390: 413CrossRefADSGoogle Scholar
  7. 7.
    7. C. Wei, K. Cho, D. Srivastava. Phys. Rev. 2003, B67: 15407Google Scholar
  8. 8.
    8. A. Andriotis, M. Menon, D. Srivastava. J. Chem. Phys. 2002, 117: 10245CrossRefGoogle Scholar
  9. 9.
    9. A. Stone, D. Wales. Chem. Phys. Lett. 1986, 128: 501CrossRefADSGoogle Scholar
  10. 10.
    10. M.J.S. Dewar, W. Thiel. J. Am. Chem. Soc. 1977, 99: 4899CrossRefGoogle Scholar
  11. 11.
    11. J. J. P. Stewart. J. Comput. Chem. 1989, 10: 209CrossRefGoogle Scholar
  12. 12.
    12. J. J. P. Stewart. J. Comput. Chem. 1989, 10: 221CrossRefGoogle Scholar
  13. 13.
    13. T. Clark, A. Breindl, G. Rauhut. J. Mol. Model. 1995, 1: 22CrossRefGoogle Scholar
  14. 14.
    A.P. Popov, I.V. Bazhin. Influence of impurities and defects on electronic structure of carbon nanotubes. NATO Science Series, ICHMS'2005, ed. by T.N. Veziroglu et Al., Springer, 2007, 795–799Google Scholar

Copyright information

© Springer Science + Business Media B.V. 2008

Authors and Affiliations

  1. 1.Pedagogical Institute of South Federal University Bolshaya SadovayaRostov-on-DonRussia

Personalised recommendations