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Computational studies of metal-carbon nanotube interfaces for regrowth and electronic transport
University of Borås, School of Engineering.
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2009 (English)In: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 9, no 3, 1117-1120 p.Article in journal (Refereed)
Abstract [en]

First principles and tight binding Monte Carlo simulations show that junctions between single-walled carbon nanotubes (SWNTs) and nickel clusters are on the cluster surface, and not at subsurface sites, irrespective of the nanotube chirality, temperature, and whether the docking is gentle or forced. Gentle docking helps to preserve the pristine structure of the SWNT at the metal interface, whereas forced docking may partially dissolve the SWNT in the cluster. This is important for SWNT-based electronics and SWNT-seeded regrowth.

Place, publisher, year, edition, pages
American Chemical Society , 2009. Vol. 9, no 3, 1117-1120 p.
Keyword [en]
kolnanorör
Keyword [sv]
datormodellering, Energi och material
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:hb:diva-2595DOI: 10.1021/nl8036245Local ID: 2320/5211OAI: oai:DiVA.org:hb-2595DiVA: diva2:870689
Available from: 2015-11-13 Created: 2015-11-13

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