Alcohol sensors based on SWNT as chemical sensors: Monte Carlo and Langevin dynamics simulation
Yazarlar (2)
L. Mahdavian
Islamic Azad University, Doroud Branch, İran
Islamic Azad University, Doroud Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Microelectronics Journal | ||
| Dergi ISSN | 0026-2692 | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2010 |
| Cilt / Sayı / Sayfa | 41 / 2 / 142–149 | DOI | 10.1016/j.mejo.2010.01.011 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-77649193558&partnerID=MN8TOARS | ||
| Özet |
| In this research the decomposition products of the alcohol gases and their decomposition stages at the surface of the elements of single walled carbon nanotube (SWNT)-based powder are analyzed. The SWNT-based powders catalytically oxidized ethanol and methanol. The nano-crystalline and nanotubes have low band gaps and high mobility, thus offer applied potential as gas adsorption. Interaction between alcohol molecules and SWNT is investigated using Monte Carlo (MC) and Langevin dynamics (LD) simulation methods. We study the structural, total energy, thermodynamic properties and the acceptance ratio of methanol gas passing through an: armchair SWNT (4, 4) at different temperatures. Passing gas in SWNT changed the properties of it, in this research we have calculated the electrical and structural charges, in addition, transfer of charges from atoms to SWNT was investigated and it was found that there is a direct relation between the total energy and temperature. We study the structure, total energy and energy band gaps of absorption of CH |
| Anahtar Kelimeler |
| CH3OH and C2H5OH | Langevin dynamics (LD) simulation | Monte Carlo (MC) simulation | SWNT |
Science Direct
Alcohol sensors based on SWNT as chemical sensors: Monte Carlo and Langevin dynamics simulation
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 57 |
| Scopus | 84 |