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Interaction induced depolarized light scattering and dipolar absorption spectra of exohedral complexes of rare gases with fullerenes and nanotubes

Zbigniew Dendzik ,  Marcin Kośmider ,  Aleksander Dawid ,  Zygmunt Gburski 

University of Silesia, Institute of Physics, Uniwersytecka 4, Katowice 40-007, Poland


We have performed the molecular dynamics study of several exohedral complexes composed of the rare gas ultra-thin atomic films adsorbed on the fullerene or nanotube surface, and calculated the depolarized light [1-2] and dipolar absorption [3] spectra of these systems. The interactions beetween rare gas atoms have been modelled using the HFD-B potentials developed by Aziz and co-workers [4-6], while the intra-molecular interactions beetween the carbon atoms of the fullerenes and nanotubes have been modelled using the potential composed of the components representing the energy of the bonded C atoms (Morse bond, harmonic cosine of the bending angle and a 2-fold torsion potential) and the energy of the van der Waals interaction between the non-bonded C atoms [7-8].

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[8] J.H. Walther, R. Jaffe, T. Halicioglu, and P. Koumoutsakos, J. Phys. Chem. B 105, 9980 (2001).


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Presentation: poster at E-MRS Fall Meeting 2004, Symposium H, by Zbigniew Dendzik
See On-line Journal of E-MRS Fall Meeting 2004

Submitted: 2004-04-29 18:18
Revised:   2009-06-08 12:55