Enhancing conductivity of metallic carbon nanotube networks by transition metal adsorption
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© 2015 AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the authors and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics, Volume 142, Issue 5 and may be found at http://scitation.aip.org/content/aip/journal/jcp/142/5/10.1063/1.4907205.
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School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2015
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Language
en
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054705/1-9
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The Journal of Chemical Physics, Volume 142, Issue 5
Abstract
The conductivity of carbon nanotube thin films is mainly determined by carbon nanotube junctions, the resistance of which can be reduced by several different methods. We investigate electronic transport through carbon nanotube junctions in a four-terminal configuration, where two metallic single-wall carbon nanotubes are linked by a group 6 transition metal atom. The transport calculations are based on the Green’s function method combined with the density-functional theory. The transition metal atom is found to enhance the transport through the junction near the Fermi level. However, the size of the nanotube affects the improvement in the conductivity. The enhancement is related to the hybridization of chromium and carbon atom orbitals, which is clearly reflected in the character of eigenstates near the Fermi level. The effects of chromium atoms and precursor molecules remaining adsorbed on the nanotubes outside the junctions are also examined.Description
Keywords
carbon nanotube junctions, electronic transport
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Citation
Ketolainen, T. & Havu, V. & Puska, Martti J. 2015. Enhancing conductivity of metallic carbon nanotube networks by transition metal adsorption. The Journal of Chemical Physics. Volume 142, Issue 5. 054705/1-9. ISSN 1089-7690 (electronic). DOI: 10.1063/1.4907205.