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The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations

We present a new universal method to accelerate calculations of transmission function and electrical conductance of 2D materials, the supercell of which may contain hundreds or thousands of atoms. The verification of the proposed method is carried out by exemplarily calculating the electrical charac...

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Detalles Bibliográficos
Autores principales: Glukhova, Olga E, Shmygin, Dmitriy S
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5942375/
https://www.ncbi.nlm.nih.gov/pubmed/29765803
http://dx.doi.org/10.3762/bjnano.9.117
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author Glukhova, Olga E
Shmygin, Dmitriy S
author_facet Glukhova, Olga E
Shmygin, Dmitriy S
author_sort Glukhova, Olga E
collection PubMed
description We present a new universal method to accelerate calculations of transmission function and electrical conductance of 2D materials, the supercell of which may contain hundreds or thousands of atoms. The verification of the proposed method is carried out by exemplarily calculating the electrical characteristics of graphene and graphane films. For the first time, we calculated the transmission function and electrical conductance of pillared graphene, composite film of carbon nanotubes (CNTs)/graphene. The electrical conductance of different models of this material was calculated in two mutually perpendicular directions. Regularities in resistance values were found.
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spelling pubmed-59423752018-05-15 The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations Glukhova, Olga E Shmygin, Dmitriy S Beilstein J Nanotechnol Full Research Paper We present a new universal method to accelerate calculations of transmission function and electrical conductance of 2D materials, the supercell of which may contain hundreds or thousands of atoms. The verification of the proposed method is carried out by exemplarily calculating the electrical characteristics of graphene and graphane films. For the first time, we calculated the transmission function and electrical conductance of pillared graphene, composite film of carbon nanotubes (CNTs)/graphene. The electrical conductance of different models of this material was calculated in two mutually perpendicular directions. Regularities in resistance values were found. Beilstein-Institut 2018-04-20 /pmc/articles/PMC5942375/ /pubmed/29765803 http://dx.doi.org/10.3762/bjnano.9.117 Text en Copyright © 2018, Glukhova and Shmygin https://creativecommons.org/licenses/by/4.0https://www.beilstein-journals.org/bjnano/termsThis is an Open Access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The license is subject to the Beilstein Journal of Nanotechnology terms and conditions: (https://www.beilstein-journals.org/bjnano/terms)
spellingShingle Full Research Paper
Glukhova, Olga E
Shmygin, Dmitriy S
The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations
title The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations
title_full The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations
title_fullStr The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations
title_full_unstemmed The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations
title_short The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations
title_sort electrical conductivity of cnt/graphene composites: a new method for accelerating transmission function calculations
topic Full Research Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5942375/
https://www.ncbi.nlm.nih.gov/pubmed/29765803
http://dx.doi.org/10.3762/bjnano.9.117
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