Nano Structure Study on the First Series Transition Cations Inside B<sub>16</sub>N<sub>16</sub>-Nanotube in Point of Electromagnetic Interaction

MONAJJEMI, Majıd; Seyedhosseini, M.; Mousavi, M.; Jamali, Z.

doi:10.1080/1536383X.2012.742425

Nano Structure Study on the First Series Transition Cations Inside B₁₆N₁₆-Nanotube in Point of Electromagnetic Interaction

Yazarlar (4)

Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran

M. Seyedhosseini Islamic Azad University, Science And Research Branch, İran

M. Mousavi Islamic Azad University, Science And Research Branch, İran

Z. Jamali Islamic Azad University, Science And Research Branch, 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	10-2014
Cilt / Sayı / Sayfa	22 / 9 / 798–808	DOI	10.1080/1536383X.2012.742425
Makale Linki	http://www.scopus.com/inward/record.url?eid=2-s2.0-84896343412&partnerID=MN8TOARS

Özet

The effect of electromagnetic interaction of transition cations inside the B16N16 nanotube has been investigated with theoretical methods. First, calculations have been conducted to systemically investigate the stability and magnetic properties of d orbitals transitional-metal cations through doped in the B16N16 nanotube. After calculating the total energy and band gap of energy in the nanotubes B16N 16(X²⁺) (X = from Sc to Zn), we have plotted graphs of total energy and band gap changes in terms of the atomic number. Then, we calculated the potential difference between the central cations with atoms of nitrogen and boron nanotube body. We plotted as a graph the potential difference in terms of quantities such as dipole moment and quadrupole moment and the atomic number and the total energy and the gap of energy. Also, we have studied orbital splitting and Jahn-Teller distortions in nanotube field for d-orbitals of metal transition cations. © 2014 Copyright Taylor & Francis Group, LLC.

Anahtar Kelimeler

Boron nitride nanotubes | Cations | Electrical potential | Gap of energy | Transition

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Web of Science	1
Scopus	9

Nano Structure Study on the First Series Transition Cations Inside B₁₆N₁₆-Nanotube in Point of Electromagnetic Interaction

Dergi Adı	FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
Yayıncı	Taylor and Francis Ltd.
Açık Erişim	Hayır
ISSN	1536-383X
E-ISSN	1536-4046
CiteScore	4,0
SJR	0,362
SNIP	0,619

Nano Structure Study on the First Series Transition Cations Inside B16N16-Nanotube in Point of Electromagnetic Interaction

Paylaş

Nano Structure Study on the First Series Transition Cations Inside B₁₆N₁₆-Nanotube in Point of Electromagnetic Interaction