Investigation of single wall carbon nanotubes electrical properties and normal mode analysis: Dielectric effects

Besides thermodynamic information, vibration can identify modes of a molecule by comparison of the spectroscopy and parameterize force field. By the application of group theory with the state of projection operators, a systematic method for getting the vibrational model of molecules such as the (3,...

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Bibliographic Details
Published in:Russian Journal of Physical Chemistry A 2009-12, Vol.83 (13), p.2288-2296
Main Authors: Lee, V. S., Nimmanpipug, P., Mollaamin, F., Kungwan, N., Thanasanvorakun, S., Monajjemi, M.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Physical Chemistry
Physical Chemistry of Nanoclusters and Nanomaterials
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Summary:Besides thermodynamic information, vibration can identify modes of a molecule by comparison of the spectroscopy and parameterize force field. By the application of group theory with the state of projection operators, a systematic method for getting the vibrational model of molecules such as the (3, 0), (4, 0), (5, 0) nanotubes was proposed. The U matrix from the combination of primitive’s harmonic vibrations was calculated and the effect of dielectric constants on the mechanism of these vibrations in nanotubes was studied. We found that in the high dielectrics the frequency of vibration has alternative behavior, however by the decreasing of the dielectrics, this behavior change to stable situation of geometry. The calculated data shown in Tables and Figures are in correspondence with some behavior of nanotubes.
ISSN:0036-0244
1531-863X
DOI:10.1134/S0036024409130184