Computation of the infrared active modes in single-walled boron nitride nanotube bundles.
J Phys Condens Matter
; 24(33): 335304, 2012 Aug 22.
Article
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| MEDLINE
| ID: mdl-22836107
In this work, the infrared active modes are computed for homogeneous bundles of single-walled boron nitride nanotubes (BBNNTs), using the so-called spectral moments method. The dependence of the wavenumber on these modes in terms of diameters, lengths, and numbers of tubes, is investigated. To this end, use is made of a Lennard-Jones potential for describing the van der Waals interactions between tubes in a bundle. We find that, for a finite homogeneous bundle, additional modes appear as a specific signature. Finally, these results are useful for the interpretation of the experimental infrared spectra of BBNNTs.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
J Phys Condens Matter
Asunto de la revista:
BIOFISICA
Año:
2012
Tipo del documento:
Article
País de afiliación:
Marruecos
Pais de publicación:
Reino Unido