Abstract
Abstract By first-principles calculations, we study quantum electrical transport properties of four nanojunctions based on armchair graphene nanoribbons (AGNRs) in the presence of nitrogen (N) and boron (B) atoms. The theoretical calculations perform within the non-equilibrium Green’s function (NEGF) method combined with density functional theory (DFT). The numerical results show distinct properties, such as converting the system into n-type and p-type semiconductors with several energy gaps due to mid-gap states. These characteristics may be useful in near-infrared photodetectors. By referring to the band structures spectra, we perceive that the effective mass of carriers increases in the doped AGNR systems. Moreover, we calculate the current–voltage characteristic and quantum capacitance of four AGNR nanodevices, theoretically. According to our results, a rectifying effect is observed at low bias voltage, while the threshold voltages depend on the type of doping.
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