Transport of quasiparticles in coronene-based graphene nanoribbons

Pereira Júnior, Marcelo Lopes; Enders Neto, Bernhard Georg; Giozza, William Ferreira; Sousa Júnior, Rafael Timóteo de; Silva, Geraldo Magela e; Ribeiro Júnior, Luiz Antônio

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Campo DC	Valor	Idioma
dc.contributor.author	Pereira Júnior, Marcelo Lopes	pt_BR
dc.contributor.author	Enders Neto, Bernhard Georg	pt_BR
dc.contributor.author	Giozza, William Ferreira	pt_BR
dc.contributor.author	Sousa Júnior, Rafael Timóteo de	pt_BR
dc.contributor.author	Silva, Geraldo Magela e	pt_BR
dc.contributor.author	Ribeiro Júnior, Luiz Antônio	pt_BR
dc.date.accessioned	2022-07-07T12:29:22Z	-
dc.date.available	2022-07-07T12:29:22Z	-
dc.date.issued	2020	-
dc.identifier.citation	PEREIRA JÚNIOR, Marcelo Lopes et al. Transport of quasiparticles in coronene-based graphene nanoribbons. Journal of Materials Chemistry C, [S. l.], v. 8, n. 35, 12100, p. 12100-12107, 2020. DOI: https://doi.org/10.1039/D0TC01319F.	pt_BR
dc.identifier.uri	https://repositorio.unb.br/handle/10482/44142	-
dc.language.iso	eng	pt_BR
dc.publisher	The Royal Society of Chemistry	pt_BR
dc.rights	Acesso Restrito	pt_BR
dc.title	Transport of quasiparticles in coronene-based graphene nanoribbons	pt_BR
dc.type	Artigo	pt_BR
dc.subject.keyword	Quasipartículas	pt_BR
dc.subject.keyword	Nanofitas de grafeno	pt_BR
dc.identifier.doi	https://doi.org/10.1039/D0TC01319F	pt_BR
dc.relation.publisherversion	https://pubs.rsc.org/en/content/articlelanding/2020/tc/d0tc01319f	-
dc.description.abstract1	Inspired by accomplishments of graphene in nanoelectronics, several carbon allotropes were proposed recently. Computational and experimental studies have been performed to describe their fundamental features toward improvement in applications regarding energy conversion and storage. However, investigations about crucial aspects behind the material’s performance, such as the formation and dynamics of charge carriers, are missing for several of those allotropes so far. Here, we numerically investigate the stability and transport properties of polarons and bipolarons in coronene-based graphene nanoribbons (CNRs), which were recently synthesized. A 2D tight-binding Hamiltonian endowed with lattice relaxation effects is developed to describe the formation of these quasiparticle species. A semiclassical transport approach is used to study the stationary and dynamical properties of charge carriers in the presence of an external electric field. Remarkably, the results reveal that polaron and bipolaron formation takes place in both armchair and zigzag CNRs but, only in the former, these quasiparticles are mobile. The mobility of polarons is considerably higher than that of bipolarons, once the latter have larger effective mass. In contrast, bipolarons are more stable and support electrical field strengths of higher intensity than polarons.	pt_BR
dc.identifier.orcid	https://orcid.org/0000-0002-2662-0887	-
dc.identifier.orcid	https://orcid.org/0000-0002-3003-3458	-
dc.identifier.orcid	https://orcid.org/0000-0003-1101-3029	-
dc.identifier.orcid	https://orcid.org/0000-0001-7468-2946	-
dc.contributor.affiliation	University of Brasília, Institute of Physics	-
dc.contributor.affiliation	University of Brasília, PPGCIMA, Campus Planaltina	-
dc.contributor.affiliation	University of Brasília, Department of Electrical Engineering	-
dc.contributor.affiliation	University of Brasília, Department of Electrical Engineering	-
dc.contributor.affiliation	University of Brasília, Institute of Physics	-
dc.contributor.affiliation	University of Brasília, Institute of Physics	-
dc.contributor.affiliation	University of Brasília, PPGCIMA, Campus Planaltina	-
dc.description.unidade	Instituto de Física (IF)	pt_BR
dc.description.unidade	Faculdade UnB Planaltina (FUP)	pt_BR
dc.description.unidade	Faculdade de Tecnologia (FT)	pt_BR
dc.description.unidade	Departamento de Engenharia Elétrica (FT ENE)	pt_BR
dc.description.ppg	Programa de Pós-Graduação em Ciências de Materiais	pt_BR
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