A computational study of the quantum transport properties of a Cu-CNT composite.
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Authors
Ghorbani-Asl, Mahdi
Bristowe, Paul D
Koziol, Krzysztof
Abstract
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.
Description
Keywords
0912 Materials Engineering
Journal Title
Phys Chem Chem Phys
Conference Name
Journal ISSN
1463-9076
1463-9084
1463-9084
Volume Title
17
Publisher
Royal Society of Chemistry (RSC)
Publisher DOI
Sponsorship
European Research Council (259061)
The European Research Council provided financial support for this work under the Seventh Framework Program FP7/2007-2013 (ERC grant agreement no. 259061). Computational support from the Cambridge High Performance Computing Cluster is gratefully acknowledged.