QM/MM study of double walled zinc oxide nanotube (DWZnONTs) for cylindrical nano capacitor application
Yazarlar (1)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience | ||
| Dergi ISSN | 1546-1955 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 01-2015 |
| Cilt / Sayı / Sayfa | 12 / 11 / 4862–4872 | DOI | 10.1166/jctn.2015.4452 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84964685315&partnerID=MN8TOARS | ||
| Özet |
| Double-walled Zinc Oxide nanotube is used for a theoretical study of a cylindrical molecular capacitor, including an inner cylinder with a positive charge distribution and an outer cylinder with a negative charge distribution (based on the experimental fabrication of SWZnONTs compounds). Due to the semiconductor characteristic and dielectric functionality of SWZnONTs, DWZnONTs can be used as a capacitor. Although the SWZnONTs@SWZnONTs behave like nano cylindrical capacitors, we have shown in this study that a dopant of GaN in the inner cylinder reduces the energy gap and yields a better capacitance. The dopant of GaN in the outer cylinder results in an inverse charge distribution (outer is positive and inner is negative). Therefore under these circumstances, the term capacitor would be meaningless, thought, the gap and the interaction energy decreases compared to the non-dopant form of SWZnONTs@SWZnONTs. |
| Anahtar Kelimeler |
| GaN dopant | Nano capacitor | ONIOM | Zinc oxide nanotube |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 22 |