Charge localization and hopping in a topologically engineered graphene nanoribbon

Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR’s topology have been developed, resulting in connected nanoribbons composed of two distinct armchair GNR families. Here, we employe...

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Autores principales: Pereira Júnior, Marcelo Lopes, de Oliveira Neto, Pedro Henrique, da Silva Filho, Demétrio Antônio, de Sousa, Leonardo Evaristo, e Silva, Geraldo Magela, Ribeiro Júnior, Luiz Antônio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7933356/
https://www.ncbi.nlm.nih.gov/pubmed/33664310
http://dx.doi.org/10.1038/s41598-021-84626-7
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author Pereira Júnior, Marcelo Lopes
de Oliveira Neto, Pedro Henrique
da Silva Filho, Demétrio Antônio
de Sousa, Leonardo Evaristo
e Silva, Geraldo Magela
Ribeiro Júnior, Luiz Antônio
author_facet Pereira Júnior, Marcelo Lopes
de Oliveira Neto, Pedro Henrique
da Silva Filho, Demétrio Antônio
de Sousa, Leonardo Evaristo
e Silva, Geraldo Magela
Ribeiro Júnior, Luiz Antônio
author_sort Pereira Júnior, Marcelo Lopes
collection PubMed
description Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR’s topology have been developed, resulting in connected nanoribbons composed of two distinct armchair GNR families. Here, we employed an extended version of the Su-Schrieffer-Heeger model to study the morphological and electronic properties of these novel GNRs. Results demonstrated that charge injection leads to the formation of polarons that localize strictly in the 9-AGNRs segments of the system. Its mobility is highly impaired by the system’s topology. The polaron displaces through hopping between 9-AGNR portions of the system, suggesting this mechanism for charge transport in this material.
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spelling pubmed-79333562021-03-08 Charge localization and hopping in a topologically engineered graphene nanoribbon Pereira Júnior, Marcelo Lopes de Oliveira Neto, Pedro Henrique da Silva Filho, Demétrio Antônio de Sousa, Leonardo Evaristo e Silva, Geraldo Magela Ribeiro Júnior, Luiz Antônio Sci Rep Article Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR’s topology have been developed, resulting in connected nanoribbons composed of two distinct armchair GNR families. Here, we employed an extended version of the Su-Schrieffer-Heeger model to study the morphological and electronic properties of these novel GNRs. Results demonstrated that charge injection leads to the formation of polarons that localize strictly in the 9-AGNRs segments of the system. Its mobility is highly impaired by the system’s topology. The polaron displaces through hopping between 9-AGNR portions of the system, suggesting this mechanism for charge transport in this material. Nature Publishing Group UK 2021-03-04 /pmc/articles/PMC7933356/ /pubmed/33664310 http://dx.doi.org/10.1038/s41598-021-84626-7 Text en © The Author(s) 2021 Open AccessThis 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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Pereira Júnior, Marcelo Lopes
de Oliveira Neto, Pedro Henrique
da Silva Filho, Demétrio Antônio
de Sousa, Leonardo Evaristo
e Silva, Geraldo Magela
Ribeiro Júnior, Luiz Antônio
Charge localization and hopping in a topologically engineered graphene nanoribbon
title Charge localization and hopping in a topologically engineered graphene nanoribbon
title_full Charge localization and hopping in a topologically engineered graphene nanoribbon
title_fullStr Charge localization and hopping in a topologically engineered graphene nanoribbon
title_full_unstemmed Charge localization and hopping in a topologically engineered graphene nanoribbon
title_short Charge localization and hopping in a topologically engineered graphene nanoribbon
title_sort charge localization and hopping in a topologically engineered graphene nanoribbon
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7933356/
https://www.ncbi.nlm.nih.gov/pubmed/33664310
http://dx.doi.org/10.1038/s41598-021-84626-7
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