Electronic and optical properties of metal decorated nitrogen-doped vacancy defects in graphene.

J Phys Condens Matter

ENEA, Casaccia Research Centre, via Anguillarese 301, I-00123 S.Maria di Galeria, Rome, Italy.

Published: June 2019

We present a first principles study of the stability, and of the electronic and optical properties of graphene with nitrogen doped vacancies. Moreover, we use the vacancies as anchoring sites for Mg, Zn, Pd al Pt atoms and vary the concentration of defects. Decoration of the defects with metal atoms produces semi-metallic systems for any studied size of the cell, with linear bands crossing at the Fermi level. The peculiar electronic properties of massless Dirac fermions in graphene are hence kept, although with anisotropic Fermi velocities. New sharp peaks appear in the optical conductivity in the visible range, thus strongly enhancing the optical response of graphene.

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http://dx.doi.org/10.1088/1361-648X/ab0bf9DOI Listing

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