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A dielectric effect on normal mode analysis and symmetry of BNNT nanotube      
Yazarlar
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Özet
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 vibration model of molecule the zigzag single-walled Boron nitride nanotube (BNNT) with (8, 0) structure was proposed. The combination and their normalization coefficients of (8, 0) nanotube in C6V point group was calculated, and the effect of dielectric constants on the mechanism of these vibrations in nanotubes was studied. Normal mode analysis in chemistry was originally developed for describing the vibrational spectra of molecules, even though the interpretation is often in terms analysis is not very large. We found that in the high dielectric the frequency of vibration has alternative behavior, but by decreasing the dielectric this behavior changed to stable situation of geometry. Copyright © Taylor & Francis Group, LLC.
Anahtar Kelimeler
Nanotube (BNNT) | normal mode | symmetry | vibration frequency
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı Fullerenes Nanotubes and Carbon Nanostructures
Dergi ISSN 1536-383X
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 04-2011
Cilt No 19
Sayı 3
Sayfalar 182 / 196
Doi Numarası 10.1080/15363831003782932
Makale Linki http://dx.doi.org/10.1080/15363831003782932