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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2015
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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. |
format | Online Article Text |
id | pubmed-4598852 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
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
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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
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title_short | A computational study of the quantum transport properties of a Cu–CNT composite
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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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