-أريد

نوع النشر: مؤتمر علمي
المؤلفون بالعربي
المؤلفون بالإنجليزي: Hatem Taha,Hantarto Widjaja, Zhong-Tao Jiang, M. Mahbubur Rahman, Ehsan Mohammadpour, Mohammednoor Altarawneh, Chun-Yang Yin, Nicholas Mondinos, and Bogdan Z. Dlugogorski
الملخص الانجليزي: Adding impurities or doping is an effective way to improve the properties of graphene. A calculation procedure using density functional theory was developed to investigate the adsorption site/orientation and band gap of elemental doped graphene, and applied this method to Al and Si. At 12.5% atomic ratio of elemental adsorption, both Al and Si do not open the band gap of pristine graphene. More information was added, that is the orientation, on where the most stable adsorption position actually is (aluminium at hollow with zigzag orientation and silicon at bridge with armchair orientation). Elemental adsorption on graphene does not exhibit handedness at two mirrored bridge positions. Si adsorption on graphene is more stable than Al.
تاريخ النشر: 21/04/2015
الناشر: Australian Institute of Physics (AIP)
رقم المجلد
رقم العدد
الكلمات المفتاحية: graphene, density functional theory, band gap energy, Elemental adsorption, impurities or doping of graphene