Tunable electronic properties of graphene - fully hydrogenated boron nitride heterostructure: A van der Waals density functional study

The structural and electronic properties of Gr/BN and Gr/H-BN-H heterostructures have been systematically investigated on density functional theory with van der Waals corrections. The results indicate that the band gap of Gr/H-BN-H is about 0.024 eV (without an electric field) and 0.412 eV (with a strong electric field). Moreover, the increase of band gap of Gr/BN and Gr/H-BN-H heterostructures does not lead an obvious drop in their carrier mobility. Meanwhile, Gr/H-BN-H heterostructure has a larger tunable range of band gap and carrier mobility than Gr/BN heterostructure. These electronic properties highlight graphene/BN potential applications in nanodevices with low energy consumption.