Interaction of Na, Mg, Al, Si with carbon nanotube (CNT): NMR and IR study
Yazarlar (4)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
L. Mahdavian
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
M. Khaleghian
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Russian Journal of Inorganic Chemistry (Q3) | ||
| Dergi ISSN | 0036-0236 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2009 |
| Cilt / Sayı / Sayfa | 54 / 9 / 1465–1473 | DOI | 10.1134/S0036023609090216 |
| Makale Linki | http://dx.doi.org/10.1134/s0036023609090216 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| A Quantum Mechanics (QM) is used for investigated the nature of metals transport and interaction with single-walled carbon nanotubes (SWCNTs) inter membranes. Metal species can be transported actively by a combination of SWCNT-membranes conducting channels that have been used for bio-molecular and detection. This study is based on the interaction of Na, Mg, Al, and Si with the structural features of SWCNTs in the ground state ab initio, HF theory and DFT calculation have been performed with the program Gaussian A7 package suite of programs. We used HF and DFT (B3LYP) method for calculation energy, chemical shift nucleus magnetic resonance and proportion thermodynamic by DFT-IR and DFT-NMR for RWCNT in absence and presence metals. The basis set used 6-31G and 6-31G* that increasing electronegativity metals increased the total energy. The proportion SWCNTs were changed by … |
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| Atıf Sayıları | |
| Web of Science | 85 |
| Scopus | 98 |
| Google Scholar | 111 |