First-principles study on the electronic properties of biphenylene, net-graphene, graphene+, and T-graphene based nanoribbons

Abstract

Since the successful separation of graphene, carbon materials with the excellent physical and chemical properties have attracted the interest of a large number of researchers. In this paper, density functional theory combined with non-equilibrium Green's function is used to systematically study the electronic structures of two-dimensional biphenylene, net-graphene, graphene+ and T-graphene, and to reveal the electron transport properties of net-graphene nanodevices under asymmetric regulation. The results show that biphenylene, net-graphene, graphene+, and T-graphene all show metallic properties, in which biphenylene and net-graphene show anisotropy, while graphene+ and T-graphene show isotropy. In addition, for the one-dimensional new carbon based nanoribbons, except for the armchair-edged net-graphene and biphenylene nanoribbons, which exhibit semiconductor properties and a band gap value of 0.08 eV, the rest of the carbon nanoribbons display metal properties. Interestingly, two of them showed a tendency to oscillate and decrease the band gap value with increasing width, while BPN-2 biphenylene nanoribbons directly changed from exhibiting semiconductor to metallic properties with increasing width combination with no oscillation. The electronic transport properties of net-graphene nanoribbons based nanodevice models for electrons transform along zigzag and armchair directions are systematically studied. An obvious negative differential resistance characteristic along the armchair and zigzag directions can be found. Overall, these interesting results show that these new net-graphene nanodevices have good practical application prospects in future electronic nanodevices.