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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

Characterization of nanocrystalline silicon germanium film and nanotube in adsorption gas by Monte Carlo and Langevin dynamic simulation      
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Devamını Göster
Özet
The nanocrystalline silicon-germanium films (Si/Ge) and Si/Ge nanotubes have low band gaps and high carrier mobility, thus offering appealing potential for absorbing gas molecules. Interaction between hydrogen molecules and bare as well as functionalized Si/Ge nanofilm and nanotube was investigated using Monte Carlo (MC) and Langevin dynamic (LD) simulation methods. It was found that the binding energy of the H2 on the Si/Ge surface is weak, and be enhanced by increasing curvature of surface to tube form and increasing temperature. The structural, total energy and energy band gaps of H2 absorbed nanocrystalline silicon germanium film (Si/Ge) and as it passes through Si/Ge nanotube was also studied. They are computed with MC and LD simulation the methods at different temperatures. All the calculations were carried out using HyperChem 7.0 program package. © 2008 Chemical Society of Ethiopia.
Anahtar Kelimeler
Langevin dynamic simulation | Monte Carlo | Si/Ge nanotube | Silicon-germanium films (Si/Ge)
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı Bulletin of the Chemical Society of Ethiopia
Dergi ISSN 1011-3924 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 08-2008
Cilt No 22
Sayı 2
Sayfalar 277 / 286
Makale Linki https://www.ajol.info/index.php/bcse/article/view/61299
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
WoS 57
SCOPUS 87
Google Scholar 106

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