Fakrach, B. and Rahmani, A. and Chadli, H. and Sbai, K. and Benhamou, M. and Bentaleb, M. and Bantignies, J.-L. and Sauvajol, J.-L. (2012) Computation of the infrared active modes in single-walled boron nitride nanotube bundles. Journal of Physics Condensed Matter, 24 (33).

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Abstract

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. © 2012 IOP Publishing Ltd.

Item Type:	Article
Uncontrolled Keywords:	Additional mode; Infrared active modes; Infrared spectrum; Single-walled boron nitride nanotubes; Spectral moments; Van Der Waals interactions; Wave numbers, Tubes (components); Van der Waals forces, Nanotubes
Subjects:	Materials Science
Divisions:	SCIENTIFIC PRODUCTION > Materials Science
Depositing User:	Administrateur Eprints Administrateur Eprints
Last Modified:	31 Jan 2020 15:48
URI:	http://eprints.umi.ac.ma/id/eprint/3675

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