Abstract
Density functional theory (DFT) coupled with non-equilibrium Green's function (NEGF) formalism is employed to explore the electronic and transport properties of armchair graphene nanoribbons (AGNR) doped with Boron (B) at 6.25%, 12.5%, 18.75% and 25% doping concentrations. The modeled (3,0) AGNR exhibit a semiconducting behaviour with a band gap of 1.06eV and as a effect of Boron doping (6.25%, 12.5% and 18.75%) shows fluctuating semiconducting or metallic behaviour. However, at around the boron concentration of 25% AGNR remains metallic it exhibit relatively better conductance than silver, gold, copper and its other B doped counterparts. Further, the interesting linear Current-Voltage characteristics and conductance of boron doped AGNR may lead to its application as interconnects.
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