Electronic transport in biphenylene network monolayer: Proposals for 2D multifunctional carbon-based nanodevices

Abstract

Very recently, the experimental synthesis of biphenylene network (BPN) monolayer has achieve a great progress (Matetskiy et al., 2021). However, a systematic study of the potential devices based on the BPN monolayer is still lacking up to date. In this paper, several conceptual BPN-based nanodevices are proposed and their electronic transport properties are revealed by using the density functional theory combined with non-equilibrium Green’s function method. First, the pristine BPN-based devices exhibit obvious electronic transport anisotropy along the zigzag and armchair directions. Moreover, a significant negative differential resistance (NDR) effect along the armchair direction is observed as well. Second, the gas sensitivities of the BPN-based gas sensor to NO and NO2 along the armchair direction are as high as 1.63 and 2.75, respectively. Finally, the BPN monolayer undergoes a metal–semiconductor transition in the case of N13 or N14 doping strategy. Therefore, Schottky junction device formed by the pristine and N14 doped BPN monolayer is constructed and its maximum rectification ratio reaches ∼104 at low bias voltage. These results demonstrate that the BPN monolayer is a multifunctional material and may find various potential applications in electronic anisotropy, NDR, gas sensor, and even Schottky junction devices.