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Abstract: We have carried out first-principles calculations on electronic properties ofgraphene quantum dots embedded in hexagonal boron nitride monolayer sheets. Thecalculations with density functional theory show that the band gaps of quantumdots 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 levelare found to be strongly localized within and in the vicinity of the quantumdots.



Autor: Junwen Li, Vivek B. Shenoy

Fuente: https://arxiv.org/







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