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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
Descripción
Sumario: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.