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Computation of the infrared active modes in single-walled boron nitride nanotube bundles.
Fakrach, B; Rahmani, A; Chadli, H; Sbai, K; Benhamou, M; Bentaleb, M; Bantignies, J-L; Sauvajol, J-L.
Afiliación
  • Fakrach B; Laboratoire de Physique des Matériaux et Modélisation des Systèmes (URAC08), Université Moulay Ismaïl, Faculté des Sciences, PO Box 11201, Zitoune, 50000 Meknès, Morocco.
J Phys Condens Matter ; 24(33): 335304, 2012 Aug 22.
Article en En | 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.

Texto completo: 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

Texto completo: 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