A nano capacitor including graphene electrodes and nitrogen mono oxide insulator: Aspect of nuclear magnetic resonance and NBO investigation
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 / 8 / 4856–4865 DOI 10.1166/jctn.2016.5356
Makale Linki http://www.scopus.com/inward/record.url?eid=2-s2.0-84995451139&partnerID=MN8TOARS
Özet
A nano capacitor with thin graphene layers including nitrogen mono oxide for depolarizing field has been designed. The optimization energy of nano capacitors has been applied via DFT study. Capacity, charge distribution, difference voltages, electrical field and energy of those capacitors have been calculated. Isotropy, anisotropy, span, asymmetry and gap energy (Humo-Lumo) have been yielded by NMR investigation. The occupancy, energy, valance, hybrids of bond orbitals and NBO analysis have exhibited for some atoms with Abinitio methods. Thermodynamic parameter, such as "E", "H", "A" and "G" has been discussed for our model of capacitor. Our calculations on the Nano capacitor show that the capacity is increased to 24/76 F/cm3.
Anahtar Kelimeler
Graphene electrodes | Nano capacitor | Nitrogen mono oxide | Thermodynamic parameter