A theoretical study of Fe3O4@Sio2 Nano-Particles: A comparison with Fe3O4(m,n) SWCNTs for synthesize of organic compounds
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 01-2016
Cilt / Sayı / Sayfa 13 / 5 / 3059–3069 DOI 10.1166/jctn.2016.4958
Makale Linki http://www.scopus.com/inward/record.url?eid=2-s2.0-84982908609&partnerID=MN8TOARS
Özet
Magnetite particles are of interests in bioscience applications such as in magnetic resonance imaging (MRI). In this work we have investigated the physical and chemical properties of Fe3O4(5,5) SWCNTS compare to Fe3O4Silica in view point of chemical reaction and sensitizes. The electrical properties such as electron densities, energy densities, potential energy densities, ELF, LOL, ellipticity of electron density, eta index and ECP for Fe3O4-silica shell and Fe3O4-(5, 5) SWCNTs have been calculated for the simulations. Our Calculation indicate that the SWCNTs are suitable surfaces for Fe3O4 such silica surfaces.
Anahtar Kelimeler
Electron density | Fe3O4 | Nano-particles | Silica | Sio2 | SWCNTs