Abstract
In frameworks of semi-empirical PM3-basis equilibrium configurations, total energy, heat of formation, energies of HOMO and LUMO orbitals, density of oneelectron states (DOS) of open (12,0) carbon nanotubes with local vacancies and defects are obtained.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Similar content being viewed by others
References
Stewart J. J. P., J. Comput. Chem. (1989), 10, 209.
Stewart J. J. P., J. Comput. Chem. (1989), 10, 221.
Nevidomskyy A.H., Csanyi G., Payne M.C. Phys.Rev.Lett. (2003), 91, 105502.
Nicolski K.N., Baturin A.S., Bormashov V.S. et al. NATO Science Series (2004), 172, 123.
Stone A. and Wales D., Chem. Phys. Lett. (1986), 128, 501.
Ajayan P., Ravikumar V., and Charlier J., Phys. Rev. Lett. (1998), 81, 1437.
Orlikowski D., Nardelli M., Bernholc J., Roland C. Phys. Rev. B (2000), 61, 14194.
Belytschko T., Xiao S., Schatz G., Ruoff R. Phys. Rev. B (2002), 65, 235430.
Mielke S., Troya D., Zhang S., Li J., Xiao S., Car R., Ruo R., Schatz G., Belytschko T. Chem.Phys.Lett. (2004), 390, 413.
Wei C., Cho K., and Srivastava D. Phys. Rev. B (2003), 67, 15407.
Andriotis A., Menon M., Srivastava D. J. Chem. Phys. (2002), 117, 10245.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2007 Springer
About this paper
Cite this paper
POPOV, A., BAZHIN, I. (2007). INFLUENCE OF IMPURITIES AND DEFECTS ON ELECTRONIC STRUCTURE OF CARBON NANOTUBES. In: Veziroglu, T.N., et al. Hydrogen Materials Science and Chemistry of Carbon Nanomaterials. NATO Security through Science Series A: Chemistry and Biology. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-5514-0_100
Download citation
DOI: https://doi.org/10.1007/978-1-4020-5514-0_100
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-5512-6
Online ISBN: 978-1-4020-5514-0
eBook Packages: Chemistry and Materials ScienceChemistry and Material Science (R0)