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Interaction of Au nanowires with impurities
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Condensed Matter Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Condensed Matter Theory.
2008 (English)In: European Physical Journal B: Condensed Matter Physics, ISSN 1434-6028, E-ISSN 1434-6036, Vol. 61, no 4, 441-444 p.Article in journal (Refereed) Published
Abstract [en]

We report the results of our first-principles studies of the interaction between an infinite monoatomic gold nanowire and a carbon-monoxide molecule. We show that the gold monoatomic nanowire is capable of absorbing the CO molecule at the distances of about 1.8 angstrom and forms a bond with the carbon atom. Further, we find that dissociation of the CO molecule as the source of gold nanowire contamination with carbon, which is widely discussed in literature as the possible reason for the striking stability of gold nanowires under stretching, is thermodynamically unfavored.

Place, publisher, year, edition, pages
2008. Vol. 61, no 4, 441-444 p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-112380DOI: 10.1140/epjb/e2008-00106-1ISI: 000253977000008OAI: oai:DiVA.org:uu-112380DiVA: diva2:286084
Available from: 2010-01-13 Created: 2010-01-13 Last updated: 2017-12-12

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