A Dielectric Effect on Normal Mode Analysis and Symmetry of BNNT Nanotube
Yazarlar (4)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
S. Salemi Islamic Azad University, Science And Research Branch, İran
Mohammad T. Baei Islamic Azad University, İran
Makale Türü Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı Fullerenes Nanotubes and Carbon Nanostructures
Dergi ISSN 1536-383X Wos Dergi Scopus Dergi
Makale Dili İngilizce Basım Tarihi 01-2011
Cilt / Sayı / Sayfa 19 / 3 / 182–196 DOI 10.1080/15363831003782932
Makale Linki http://www.scopus.com/inward/record.url?eid=2-s2.0-79551702338&partnerID=MN8TOARS
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
Science Direct
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Web of Science 53
Scopus 91
A Dielectric Effect on Normal Mode Analysis and Symmetry of BNNT Nanotube

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