Lennard-Jones Centre for Computational Materials Science

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

Ghorbani-Asl, M and Bristowe, PD and Koziol, K (2015) A computational study of the quantum transport properties of a Cu-CNT composite. Physical Chemistry Chemical Physics, 17. pp. 18273-18277. ISSN 1463-9076

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Abstract

This journal is © the Owner Societies. 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.

Item Type: Article
Subjects: UNSPECIFIED
Divisions: UNSPECIFIED
Depositing User: Unnamed user with email sms67@eng.cam.ac.uk
Date Deposited: 13 Jul 2015 08:47
Last Modified: 23 Jan 2021 05:46
DOI: 10.1039/c5cp01470k

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