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Interaction of Au nanowires with impurities
Department of Physics Uppsala University.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
2008 (English)In: The European physical journal.. B. Condensed matter physics, 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 Å 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
Natural Sciences
URN: urn:nbn:se:liu:diva-44776DOI: 10.1140/epjb/e2008-00106-1Local ID: 77582OAI: diva2:265638
Available from: 2009-10-10 Created: 2009-10-10 Last updated: 2011-01-10

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Mikhaylushkin, Arkady
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The Institute of TechnologyTheoretical Physics
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