Publicação · Artigo Nº 22

Intrinsic Properties of Bipolarons in Armchair Graphene Nanoribbons

Gesiel G. Silva · Wiliam F. da Cunha · Marcelo L. Pereira Júnior · L. F. Roncaratti Junior · Luiz A. Ribeiro Júnior

Prof. Marcelo Lopes Pereira JuniorLuiz Antonio Ribeiro Junior

Resumo

Capa · CHEMICAL PHYSICS LETTERS

Keywords: Graphene nanoribbons Charge transport Bipolarons Tight-binding hamiltonian We performed an investigation concerning bipolaron dynamics in armchair graphene nanoribbons (AGNRs) under the influence of different electric fields and electron–phonon coupling regimes. By studying the response to the electric field, we determined the effective mass and terminal velocity of this quasiparticle in AGNRs. Remarkably, bipolarons in narrower AGNRs move as fast as the ones in conjugated polymers. Our findings pave the way to enhance the understanding of the behavior of charge carriers in graphene nanoribbons. 1.

CHEMICAL PHYSICS LETTERS, 2021 · Fator de impacto 2,9.

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DOI 10.1016/j.cplett.2021.138387