Bilayered semiconductor graphene nanostructures with periodically arranged hexagonal holes
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We present a theoretical study of new nanostructures based on bilayered graphene with periodically arranged hexagonal holes (bilayered graphene antidots). Our ab initio calculations show that fabrication of hexagonal holes in bigraphene leads to connection of the neighboring edges of the two graphene layers with formation of a hollow carbon nanostructure sheet which displays a wide range of electronic properties (from semiconductor to metallic), depending on the size of the holes and the distance between them. The results were additionally supported by wave packet dynamical transport calculations based on the numerical solution of the time-dependent Schrödinger equation.
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Bilayered semiconductor graphene nanostructures with periodically arranged hexagonal holes
Abstract
We present a theoretical study of new nanostructures based on bilayered graphene with periodically arranged hexagonal holes (bilayered graphene antidots). Our ab initio calculations show that fabrication of hexagonal holes in bigraphene leads to connection of the neighboring edges of the two graphene layers with formation of a hollow carbon nanostructure sheet which displays a wide range of electronic properties (from semiconductor to metallic), depending on the size of the holes and the distance between them. The results were additionally supported by wave packet dynamical transport calculations based on the numerical solution of the time-dependent Schrödinger equation.
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Acknowledgements
This work was supported by an EU Marie Curie International Research Staff Exchange Scheme Fellowship within the 7th European Community Framework Programme (MC-IRSES proposal 318617 FAEMCAR project) OTKA 101599 in Hungary. We are grateful to the Joint Supercomputer Center of the Russian Academy of Sciences and "Lomonosov" research computing center for the possibilities of using a cluster computer for the quantum-chemical calculations. D.G.K. acknowledges the support from the Russian Ministry of Education and Science (No. 948 from 21 of November 2012).
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