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A computational study of the quantum transport properties of a Cu–CNT composite

The quantum transport properties of a Cu–CNT composite are studied using a non-equilibrium Green's function approach combined with the self-consistent-charge density-functional tight-binding method. The results show that the electrical conductance of the composite depends strongly on CNT densit...

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Detalles Bibliográficos
Autores principales: Ghorbani-Asl, Mahdi, Bristowe, Paul D., Koziol, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4598852/
https://www.ncbi.nlm.nih.gov/pubmed/26120607
http://dx.doi.org/10.1039/c5cp01470k
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author Ghorbani-Asl, Mahdi
Bristowe, Paul D.
Koziol, Krzysztof
author_facet Ghorbani-Asl, Mahdi
Bristowe, Paul D.
Koziol, Krzysztof
author_sort Ghorbani-Asl, Mahdi
collection PubMed
description The quantum transport properties of a Cu–CNT composite are studied using a non-equilibrium Green's function approach combined with the self-consistent-charge density-functional tight-binding method. The results show that the electrical conductance of the composite depends strongly on CNT density and alignment but more weakly on chirality. Alignment with the applied bias is preferred and the conductance of the composite increases as its mass density increases.
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spelling pubmed-45988522015-11-04 A computational study of the quantum transport properties of a Cu–CNT composite Ghorbani-Asl, Mahdi Bristowe, Paul D. Koziol, Krzysztof Phys Chem Chem Phys Chemistry The quantum transport properties of a Cu–CNT composite are studied using a non-equilibrium Green's function approach combined with the self-consistent-charge density-functional tight-binding method. The results show that the electrical conductance of the composite depends strongly on CNT density and alignment but more weakly on chirality. Alignment with the applied bias is preferred and the conductance of the composite increases as its mass density increases. Royal Society of Chemistry 2015-07-28 2015-06-29 /pmc/articles/PMC4598852/ /pubmed/26120607 http://dx.doi.org/10.1039/c5cp01470k Text en This journal is © The Royal Society of Chemistry 2015 http://creativecommons.org/licenses/by/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution 3.0 Unported License (http://creativecommons.org/licenses/by/3.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Chemistry
Ghorbani-Asl, Mahdi
Bristowe, Paul D.
Koziol, Krzysztof
A computational study of the quantum transport properties of a Cu–CNT composite
title A computational study of the quantum transport properties of a Cu–CNT composite
title_full A computational study of the quantum transport properties of a Cu–CNT composite
title_fullStr A computational study of the quantum transport properties of a Cu–CNT composite
title_full_unstemmed A computational study of the quantum transport properties of a Cu–CNT composite
title_short A computational study of the quantum transport properties of a Cu–CNT composite
title_sort computational study of the quantum transport properties of a cu–cnt composite
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4598852/
https://www.ncbi.nlm.nih.gov/pubmed/26120607
http://dx.doi.org/10.1039/c5cp01470k
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