Non-covalent interaction between two cylindrical layers of (m,n) @ (m,n) multi wall boron nitride nanotubes: A wave-function analyzing
Yazarlar (1)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience (Q2) | ||
| Dergi ISSN | 1546-1955 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 01-2015 |
| Cilt / Sayı / Sayfa | 12 / 10 / 3902–3910 | DOI | 10.1166/jctn.2015.4299 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84960092916&partnerID=MN8TOARS | ||
| UAK Araştırma Alanları |
Ziraat, Orman ve Su Ürünleri
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| Özet |
| In this study we have shown that there is a regular non-bonded interaction between two layers of MWBNNTs and we have observed that the energy between two layers is sensitive to chirality dramatically. We have investigated the quantum mechanics of non-bonded interaction in terms of wave function and charge density between two layers due to the external field of inner tube which makes a strong field for outer tube. |
| Anahtar Kelimeler |
| Boron Nitride Nanotubes | Cylindrical Layers | DFT Methods | Non-Covalent Interaction | Wave-Function Analyzing |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 23 |