▎ 摘 要
Using a combination of first-principles density functional theory and the non-equilibrium Green's function method, we have investigated the electronic transport properties of devices based on an orderly nitrogen-doped armchair graphene nanoribbon under gate voltages. The results show that the gate voltage strongly affects the electronic transport properties of the devices. Strong rectifying behavior is observed and it can be modulated by the gate voltage. The maximum rectifying ratio reaches the order of 106 at a specific gate voltage, which is two orders of magnitude higher than the device without applying a gate voltage. The mechanism for the rectifying behavior was investigated from the calculated transmission spectra, potential drop, and local device density of state. The results indicate that the devices regulated by the gate voltage can potentially be applied to high-performance rectifiers. (C) 2017 Elsevier B.V. All rights reserved.