| Yazarlar |
M. Monajjemi
|
|
J. Najafpour
|
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi |
| Özet |
| Possible ways for manipulating carbon nanotubes (CNTs) with PNP and NPN junctions are studied using Restricted Hartree-Fock and density functional theory. Electronic structure calculations with structure optimizations have been performed for the (3,3)4 armchair single-walled carbon nanotube (SWCNT) complexed with BNNB group (PNP junction) and NBBN group (NPN junction). In this study it is an investigation presented on effects of those junctions on SWCNTs that is on its electronic structure: 1) There are four types of carbon atoms (3,3)4 armchair SWCNT, and 2) NMR parameters and electronic configuration have been distributed when PNP and NPN junctions are connected to the SWCNT. Copyright © Taylor & Francis Group, LLC. |
| Anahtar Kelimeler |
| DFT | NMR | NPN | PNP | SWCNT |
| 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-Exp, SCOPUS, CCR Database, Chemistry Server Reaction Center, Curation, Current Contents Physical Chemical & Earth Sciences, Essential Science Indicators, Reaction Citation Index, Reference Master, Sophia |
| Makale Dili | İngilizce |
| Basım Tarihi | 01-2013 |
| Cilt No | 21 |
| Sayı | 3 |
| Sayfalar | 213 / 232 |
| Doi Numarası | 10.1080/1536383X.2011.597010 |
| Atıf Sayıları | |
| WoS | 32 |
| SCOPUS | 85 |
| Google Scholar | 57 |
