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Cone-like graphene nanostructures: electronic and optical properties

A theoretical study of electronic and optical properties of graphene nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete...

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Detalles Bibliográficos
Autores principales: Ulloa, Pablo, Latgé, Andrea, Oliveira, Luiz E, Pacheco, Monica
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3848738/
https://www.ncbi.nlm.nih.gov/pubmed/24028308
http://dx.doi.org/10.1186/1556-276X-8-384
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author Ulloa, Pablo
Latgé, Andrea
Oliveira, Luiz E
Pacheco, Monica
author_facet Ulloa, Pablo
Latgé, Andrea
Oliveira, Luiz E
Pacheco, Monica
author_sort Ulloa, Pablo
collection PubMed
description A theoretical study of electronic and optical properties of graphene nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5,000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies, the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures.
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spelling pubmed-38487382013-12-06 Cone-like graphene nanostructures: electronic and optical properties Ulloa, Pablo Latgé, Andrea Oliveira, Luiz E Pacheco, Monica Nanoscale Res Lett Nano Express A theoretical study of electronic and optical properties of graphene nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5,000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies, the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures. Springer 2013-09-12 /pmc/articles/PMC3848738/ /pubmed/24028308 http://dx.doi.org/10.1186/1556-276X-8-384 Text en Copyright © 2013 Ulloa et al.; licensee Springer. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Nano Express
Ulloa, Pablo
Latgé, Andrea
Oliveira, Luiz E
Pacheco, Monica
Cone-like graphene nanostructures: electronic and optical properties
title Cone-like graphene nanostructures: electronic and optical properties
title_full Cone-like graphene nanostructures: electronic and optical properties
title_fullStr Cone-like graphene nanostructures: electronic and optical properties
title_full_unstemmed Cone-like graphene nanostructures: electronic and optical properties
title_short Cone-like graphene nanostructures: electronic and optical properties
title_sort cone-like graphene nanostructures: electronic and optical properties
topic Nano Express
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3848738/
https://www.ncbi.nlm.nih.gov/pubmed/24028308
http://dx.doi.org/10.1186/1556-276X-8-384
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