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Bipolaron Dynamics in Graphene Nanoribbons

Graphene nanoribbons (GNRs) are two-dimensional structures with a rich variety of electronic properties that derive from their semiconducting band gaps. In these materials, charge transport can occur via a hopping process mediated by carriers formed by self-interacting states between the excess char...

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Autores principales: Silva, Gesiel Gomes, Ribeiro Junior, Luiz Antonio, Pereira Junior, Marcelo Lopes, Fonseca, Antonio Luciano de Almeida, de Sousa Júnior, Rafael Timóteo, Silva, Geraldo Magela e
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6393677/
https://www.ncbi.nlm.nih.gov/pubmed/30814607
http://dx.doi.org/10.1038/s41598-019-39774-2
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author Silva, Gesiel Gomes
Ribeiro Junior, Luiz Antonio
Pereira Junior, Marcelo Lopes
Fonseca, Antonio Luciano de Almeida
de Sousa Júnior, Rafael Timóteo
Silva, Geraldo Magela e
author_facet Silva, Gesiel Gomes
Ribeiro Junior, Luiz Antonio
Pereira Junior, Marcelo Lopes
Fonseca, Antonio Luciano de Almeida
de Sousa Júnior, Rafael Timóteo
Silva, Geraldo Magela e
author_sort Silva, Gesiel Gomes
collection PubMed
description Graphene nanoribbons (GNRs) are two-dimensional structures with a rich variety of electronic properties that derive from their semiconducting band gaps. In these materials, charge transport can occur via a hopping process mediated by carriers formed by self-interacting states between the excess charge and local lattice deformations. Here, we use a two-dimensional tight-binding approach to reveal the formation of bipolarons in GNRs. Our results show that the formed bipolarons are dynamically stable even for high electric field strengths when it comes to GNRs. Remarkably, the bipolaron dynamics can occur in acoustic and optical regimes concerning its saturation velocity. The phase transition between these two regimes takes place for a critical field strength in which the bipolaron moves roughly with the speed of sound in the material.
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spelling pubmed-63936772019-03-04 Bipolaron Dynamics in Graphene Nanoribbons Silva, Gesiel Gomes Ribeiro Junior, Luiz Antonio Pereira Junior, Marcelo Lopes Fonseca, Antonio Luciano de Almeida de Sousa Júnior, Rafael Timóteo Silva, Geraldo Magela e Sci Rep Article Graphene nanoribbons (GNRs) are two-dimensional structures with a rich variety of electronic properties that derive from their semiconducting band gaps. In these materials, charge transport can occur via a hopping process mediated by carriers formed by self-interacting states between the excess charge and local lattice deformations. Here, we use a two-dimensional tight-binding approach to reveal the formation of bipolarons in GNRs. Our results show that the formed bipolarons are dynamically stable even for high electric field strengths when it comes to GNRs. Remarkably, the bipolaron dynamics can occur in acoustic and optical regimes concerning its saturation velocity. The phase transition between these two regimes takes place for a critical field strength in which the bipolaron moves roughly with the speed of sound in the material. Nature Publishing Group UK 2019-02-27 /pmc/articles/PMC6393677/ /pubmed/30814607 http://dx.doi.org/10.1038/s41598-019-39774-2 Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Silva, Gesiel Gomes
Ribeiro Junior, Luiz Antonio
Pereira Junior, Marcelo Lopes
Fonseca, Antonio Luciano de Almeida
de Sousa Júnior, Rafael Timóteo
Silva, Geraldo Magela e
Bipolaron Dynamics in Graphene Nanoribbons
title Bipolaron Dynamics in Graphene Nanoribbons
title_full Bipolaron Dynamics in Graphene Nanoribbons
title_fullStr Bipolaron Dynamics in Graphene Nanoribbons
title_full_unstemmed Bipolaron Dynamics in Graphene Nanoribbons
title_short Bipolaron Dynamics in Graphene Nanoribbons
title_sort bipolaron dynamics in graphene nanoribbons
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6393677/
https://www.ncbi.nlm.nih.gov/pubmed/30814607
http://dx.doi.org/10.1038/s41598-019-39774-2
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