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
كليدواژه :
Graphene armchair nanoribbon , B , doping , DFT , work function
عنوان كنفرانس :
نوزدهمين سمينار شيمي فيزيك ايران
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.
