4.6 Article

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

期刊

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 17, 期 28, 页码 18273-18277

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cp01470k

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  1. European Research Council (ERC) [259061]

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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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