Non-Bonded interaction between phosphorus-boron double wall nanotubes (DW-P-B-NTs): Structural and electronic properties
Yazarlar (9)
J. Shakibayifar
Islamic Azad University, İran
Islamic Azad University, İran
M. Mehdizadeh Barforushi
Islamic Azad University, İran
Islamic Azad University, İran
M. Sayadian
Islamic Azad University, Islamshahr Branch, İran
Islamic Azad University, Islamshahr Branch, İran
S. Bagheri
Islamic Azad University, İran
Islamic Azad University, İran
M. Derakhshandeh
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
S. Ghezelbash
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
M. Zakeri
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
R. Esmkhani Islamic Azad University, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (SCOPUS dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience | ||
| Dergi ISSN | 1546-1955 Dergi Bilgileri (2016) | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 01-2016 |
| Cilt / Sayı / Sayfa | 13 / 5 / 3175–3182 | DOI | 10.1166/jctn.2016.4972 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84982975989&partnerID=MN8TOARS | ||
| UAK Araştırma Alanları |
Ziraat, Orman ve Su Ürünleri
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| Özet |
| Phosphorus-boron double wall nanotubes are used for a theoretical study of cylindrical molecular capacitor, including an inner cylinder (with a positive charge distribution) and an outer cylinder (with a negative charge distribution). Due to the semiconductor characteristic and dielectric functionality of single wall phosphorus boron nanotubes (SWP-B-NTs@SWP-B-NTs), it can be used as a diode. Although the SWP-B-NTs@SWP-B-NTs behave like nano cylindrical capacitors, we have shown in this study that a dopant of Al-P-Al in the inner cylinder reduces the energy gap and yields a better capacitance. The dopant of Al-P-Al in the outer cylinder yields an inverse charge distribution (outer is positive and inner is negative). Therefore under these circumstances, the term capacitor would be meaningless, though, the gap of the interaction energy decreases compared to the non-dopant form of SWP-B-NTs@SWP-B-NTs. |
| Anahtar Kelimeler |
| Al-p dopant | Nano capacitor | Nanotube | Oniom | Phosphorus-boron |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 1 |