Graphene quantum dots embedded in hexagonal boron nitride sheets

We have carried out first-principles calculations on electronic properties of graphene quantum dots embedded in hexagonal boron nitride monolayer sheets. The calculations with density functional theory show that the band gaps of quantum dots are determined by the quantum confinement effects and the hybridization of pi orbitals from B, N, and C atoms. The energy states near the Fermi level are found to be strongly localized within and in the vicinity of the quantum dots. (c) 2011 American Institute of Physics. [doi: 10.1063/1.3533804]