Charge localization and hopping in a topologically engineered graphene nanoribbon

Abstract 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, w...

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Autores principales:	Marcelo Lopes Pereira Júnior, Pedro Henrique de Oliveira Neto, Demétrio Antônio da Silva Filho, Leonardo Evaristo de Sousa, Geraldo Magela e Silva, Luiz Antônio Ribeiro Júnior
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/80550517a83d4a85bbc4eeab06198c20
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spelling	oai:doaj.org-article:80550517a83d4a85bbc4eeab06198c202021-12-02T13:30:11ZCharge localization and hopping in a topologically engineered graphene nanoribbon10.1038/s41598-021-84626-72045-2322https://doaj.org/article/80550517a83d4a85bbc4eeab06198c202021-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-84626-7https://doaj.org/toc/2045-2322Abstract 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.Marcelo Lopes Pereira JúniorPedro Henrique de Oliveira NetoDemétrio Antônio da Silva FilhoLeonardo Evaristo de SousaGeraldo Magela e SilvaLuiz Antônio Ribeiro JúniorNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Marcelo Lopes Pereira Júnior Pedro Henrique de Oliveira Neto Demétrio Antônio da Silva Filho Leonardo Evaristo de Sousa Geraldo Magela e Silva Luiz Antônio Ribeiro Júnior Charge localization and hopping in a topologically engineered graphene nanoribbon
description	Abstract 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.
format	article
author	Marcelo Lopes Pereira Júnior Pedro Henrique de Oliveira Neto Demétrio Antônio da Silva Filho Leonardo Evaristo de Sousa Geraldo Magela e Silva Luiz Antônio Ribeiro Júnior
author_facet	Marcelo Lopes Pereira Júnior Pedro Henrique de Oliveira Neto Demétrio Antônio da Silva Filho Leonardo Evaristo de Sousa Geraldo Magela e Silva Luiz Antônio Ribeiro Júnior
author_sort	Marcelo Lopes Pereira Júnior
title	Charge localization and hopping in a topologically engineered graphene nanoribbon
title_short	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_sort	charge localization and hopping in a topologically engineered graphene nanoribbon
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/80550517a83d4a85bbc4eeab06198c20
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Charge localization and hopping in a topologically engineered graphene nanoribbon

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