Charge transport in cove-type graphene nanoribbons : the role of quasiparticles

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Autor(es): dc.contributorUniversity of Brasilia, Institute of Physics-
Autor(es): dc.contributorTechnical University of Denmark, Department of Energy Conversion and Storage-
Autor(es): dc.contributorUniversity of Brasilia, Institute of Physics-
Autor(es): dc.contributorUniversity of Brasilia, Institute of Physics-
Autor(es): dc.contributorUniversity of Brasilia, Institute of Physics-
Autor(es): dc.creatorCassiano, Tiago de Sousa Araújo-
Autor(es): dc.creatorSousa, Leonardo Evaristo de-
Autor(es): dc.creatorRibeiro Júnior, Luiz Antônio-
Autor(es): dc.creatorSilva, Geraldo Magela e-
Autor(es): dc.creatorOliveira Neto, Pedro Henrique de-
Data de aceite: dc.date.accessioned2024-10-23T16:06:23Z-
Data de disponibilização: dc.date.available2024-10-23T16:06:23Z-
Data de envio: dc.date.issued2023-11-20-
Data de envio: dc.date.issued2023-11-20-
Data de envio: dc.date.issued2022-03-17-
Fonte completa do material: dc.identifierhttp://repositorio2.unb.br/jspui/handle/10482/46884-
Fonte completa do material: dc.identifierhttps://doi.org/10.1016/j.synthmet.2022.117056-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/899935-
Descrição: dc.descriptionPrevious reports indicate that cove-type graphene nanoribbons (CGNR) may present high intrinsic charge mobility of almost 15,000 cm2/Vs. Still, with experimental estimates varying from 150 to 15,000 cm2/Vs. Typically, theoretical mobilities are obtained from methods such as the Drude-Smith model, which tends to neglect the electron-phonon coupling mechanism, or the Boltzmann transport equation, that considers only acoustic phonons. As such, more thorough approaches are needed. In this work, we simulated charge transport in 4-CGNR by explicitly contemplating the lattice collective behavior. The nanoribbon is simulated by a two-dimensional Su-Schrieffer-Heeger (SSH) tight-binding model with electron-phonon coupling and considering all phonon modes. Results show the rise of two quasiparticles: polaron and bipolaron. We probed their dynamical properties by including the presence of an external electric field. Findings indicate that each carrier has a characteristic transport regime that is deeply related to phonon collision interactions. Model derived mobilities for polarons and bipolarons reach up to 18,000 cm2/Vs and 1500 cm2/Vs, respectively. Furthermore, calculations reveal the carriers to be highly efficient charge transporters, with a field independent low effective mass and notable mobility, delivering a better performance than other narrow GNRs. All presented features place the CGNR as a potential base material of future high-quality organic-based optoelectronic devices. The work also contributes to the theoretical understanding of transport physics in highly confined materials.-
Descrição: dc.descriptionInstituto de Física (IF)-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Publicador: dc.publisherElsevier B.V.-
Direitos: dc.rightsAcesso Aberto-
Direitos: dc.rightsThis is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).-
Palavras-chave: dc.subjectGrafeno-
Palavras-chave: dc.subjectSSH-
Palavras-chave: dc.subjectPolaron-
Palavras-chave: dc.subjectBipolaron-
Palavras-chave: dc.subjectTransporte de carga-
Palavras-chave: dc.subjectNanofitas de grafeno-
Título: dc.titleCharge transport in cove-type graphene nanoribbons : the role of quasiparticles-
Tipo de arquivo: dc.typelivro digital-
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