Optical properties of graphene nanoflakes: Shape matters
- Autores
- Mansilla Wettstein, Candela; Bonafé, Franco Paúl; Oviedo, María Belén; Sanchez, Cristian Gabriel
- Año de publicación
- 2016
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries.
Fil: Mansilla Wettstein, Candela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Bonafé, Franco Paúl. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Oviedo, María Belén. University of California; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina - Materia
-
OPTICAL PROPIETIES
GRAPHENE
ABSORPTION SPECTRA
QUANTUM DYNAMICS - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/54165
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Optical properties of graphene nanoflakes: Shape mattersMansilla Wettstein, CandelaBonafé, Franco PaúlOviedo, María BelénSanchez, Cristian GabrielOPTICAL PROPIETIESGRAPHENEABSORPTION SPECTRAQUANTUM DYNAMICShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries.Fil: Mansilla Wettstein, Candela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Bonafé, Franco Paúl. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Oviedo, María Belén. University of California; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaAmerican Institute of Physics2016-06-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/54165Mansilla Wettstein, Candela; Bonafé, Franco Paúl; Oviedo, María Belén; Sanchez, Cristian Gabriel; Optical properties of graphene nanoflakes: Shape matters; American Institute of Physics; Journal of Chemical Physics; 144; 22; 9-6-2016; 224305-2243050021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scitation.aip.org/content/aip/journal/jcp/144/22/10.1063/1.4953172info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4953172info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:08:43Zoai:ri.conicet.gov.ar:11336/54165instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:08:43.303CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Optical properties of graphene nanoflakes: Shape matters |
title |
Optical properties of graphene nanoflakes: Shape matters |
spellingShingle |
Optical properties of graphene nanoflakes: Shape matters Mansilla Wettstein, Candela OPTICAL PROPIETIES GRAPHENE ABSORPTION SPECTRA QUANTUM DYNAMICS |
title_short |
Optical properties of graphene nanoflakes: Shape matters |
title_full |
Optical properties of graphene nanoflakes: Shape matters |
title_fullStr |
Optical properties of graphene nanoflakes: Shape matters |
title_full_unstemmed |
Optical properties of graphene nanoflakes: Shape matters |
title_sort |
Optical properties of graphene nanoflakes: Shape matters |
dc.creator.none.fl_str_mv |
Mansilla Wettstein, Candela Bonafé, Franco Paúl Oviedo, María Belén Sanchez, Cristian Gabriel |
author |
Mansilla Wettstein, Candela |
author_facet |
Mansilla Wettstein, Candela Bonafé, Franco Paúl Oviedo, María Belén Sanchez, Cristian Gabriel |
author_role |
author |
author2 |
Bonafé, Franco Paúl Oviedo, María Belén Sanchez, Cristian Gabriel |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
OPTICAL PROPIETIES GRAPHENE ABSORPTION SPECTRA QUANTUM DYNAMICS |
topic |
OPTICAL PROPIETIES GRAPHENE ABSORPTION SPECTRA QUANTUM DYNAMICS |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries. Fil: Mansilla Wettstein, Candela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina Fil: Bonafé, Franco Paúl. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina Fil: Oviedo, María Belén. University of California; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina |
description |
In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNFs) or graphene quantum dots (GQDs) are relevant for their electronic structure, thermal stability, and optical properties. Using computer simulations, we have proven that there is a fundamental difference in the absorption spectra between samples of the same shape, similar size but different edge type, namely, armchair or zigzag edges. These can be explained by the presence of electronic structures near the Fermi level which are localized on the edges. These features are also evident from the dependence of band gap on the GNF size, which shows three very distinct trends for different shapes and edge geometries. |
publishDate |
2016 |
dc.date.none.fl_str_mv |
2016-06-09 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/54165 Mansilla Wettstein, Candela; Bonafé, Franco Paúl; Oviedo, María Belén; Sanchez, Cristian Gabriel; Optical properties of graphene nanoflakes: Shape matters; American Institute of Physics; Journal of Chemical Physics; 144; 22; 9-6-2016; 224305-224305 0021-9606 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/54165 |
identifier_str_mv |
Mansilla Wettstein, Candela; Bonafé, Franco Paúl; Oviedo, María Belén; Sanchez, Cristian Gabriel; Optical properties of graphene nanoflakes: Shape matters; American Institute of Physics; Journal of Chemical Physics; 144; 22; 9-6-2016; 224305-224305 0021-9606 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/http://scitation.aip.org/content/aip/journal/jcp/144/22/10.1063/1.4953172 info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4953172 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/2.5/ar/ |
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openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by/2.5/ar/ |
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application/pdf application/pdf application/pdf application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
American Institute of Physics |
publisher.none.fl_str_mv |
American Institute of Physics |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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