Polaron transport in porous graphene nanoribbons

نویسندگان

چکیده

Porous graphene (PG) forms a class of graphene-related materials with nanoporous architectures. Their unique atomic arrangements present interconnected networks high surface area and pore volume. Some remarkable properties PG, such as mechanical strength good thermal stability, have been widely studied. However, their electrical conductivity, most importantly, charge transport mechanism are still not fully understood. Herein, we employed numerical approach based on 2D tight-binding model Hamiltonian to first reveal the nature in PG nanoribbons. Results showed that these is mediated by density waves. These carrier species dynamically stable very shallow lattice distortions. The porosity allows for an alternative usual arising polaron-like carriers it can preserve semiconducting character even broader waves move within optical regime terminal velocities varying from 0.50 up 1.15 A/fs. lower than ones polarons conventional nanoribbons (2.2-5.1 A/fs).

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ژورنال

عنوان ژورنال: Computational Materials Science

سال: 2021

ISSN: ['1879-0801', '0927-0256']

DOI: https://doi.org/10.1016/j.commatsci.2021.110423