سال انتشار: ۱۳۹۰

محل انتشار: اولین همایش ملی نانومواد و نانو تکنولوژی

تعداد صفحات: ۱۰

نویسنده(ها):

S. M. Emami – Department of chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran
M.D Ganji –
S. N. Emami –

چکیده:

Zig-zag graphene nanoribbon nanobuds (ZGNR-NBs) can be engineered by functionalizing C60 buckyballs on a graphene nanoribbon,where C60 molecules form a periodic lattice structure and possesses manyadvantageous properties as compared to the pristine components. Structural and electronic properties of a novel ZGNR-NB is investigated for the first time by using the density functional theory calculations. For this importantpropose, C60 buckyballs are attached to the ZGNR monolayer via a neck region made of a (6, 0) SWNT. The formation energies were calculated andalso the electronics structure properties were analyzed by calculating the DOS for respected ZGNR-NBs.