شماره ركورد كنفرانس
3834
عنوان مقاله
ENGINEERING THE WORK FUNCTION AND ELECTRONIC EMISSION OF HYBRID GRAPHENE-BORON NITRIDE ARMCHAIR NANORIBBON USING B-DOPING
پديدآورندگان
Habibpour Razieh habibipour@irost.ir Department of Chemical technologies, Iranian Research Organization for Science and Technology, Tehran, Iran; , Vaziri Raheleh Department of Chemistry, Payame Noor University, Tehran, Iran
تعداد صفحه
3
كليدواژه
Graphene armchair nanoribbon , B , doping , DFT , work function
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
The electronic and chemical properties of B-doped hybrid graphene and boron nitride armchair nanoribbons (N-doped a-GBNNRs) in comparison with graphene armchair nanoribbon (pristine a-GNR) and hybrid graphene and boron nitride armchair nanoribbon (C-3BN) are investigated using the density functional theory method. The results show that all the mentioned nanoribbons are nonmagnetic direct semiconductors and all the B-doped a-GBNNRs are p-type semiconductors. The N-doped graphitic1 and N-doped graphitic2 structures have the lowest work function and the highest number of valence electrons (Lowdin charges) which confirms that they are effective for use in electronic device applications.
كشور
ايران
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