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Bipolaron Dynamics in Graphene Nanoribbons

2019; Nature Portfolio; Volume: 9; Issue: 1 Linguagem: Inglês

10.1038/s41598-019-39774-2

2045-2322

Gesiel Gomes Silva, Luiz Antônio Ribeiro, Marcelo Lopes Pereira, A. L. A. Fonseca, Rafael T. de Sousa, Geraldo Magela e Silva,

Carbon Nanotubes in Composites

Abstract Graphene nanoribbons (GNRs) are two-dimensional structures with a rich variety of electronic properties that derive from their semiconducting band gaps. In these materials, charge transport can occur via a hopping process mediated by carriers formed by self-interacting states between the excess charge and local lattice deformations. Here, we use a two-dimensional tight-binding approach to reveal the formation of bipolarons in GNRs. Our results show that the formed bipolarons are dynamically stable even for high electric field strengths when it comes to GNRs. Remarkably, the bipolaron dynamics can occur in acoustic and optical regimes concerning its saturation velocity. The phase transition between these two regimes takes place for a critical field strength in which the bipolaron moves roughly with the speed of sound in the material.