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Interactions between molecular wires and a gold surface
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
2000 (English)In: Chemical Physics Letters, ISSN 0009-2614, Vol. 322, no 5, 301-306 p.Article in journal (Refereed) Published
Abstract [en]

The thiol group attaches strongly to gold surfaces and can thus be used as interconnects of molecular wires in nano electronics. A phenyl molecule attached to gold via a thiol group has been investigated by ab initio Hartree-Fock calculations in order to understand electronic transport through the sulfur-gold bridge. In our analysis of the coupling between gold and the molecule, we found that the electronic system of the gold substrate interacts directly with the conducting states of the molecule and thus forms an ohmic contact to the molecular wire. (C) 2000 Elsevier Science B.V. All rights reserved.

Place, publisher, year, edition, pages
2000. Vol. 322, no 5, 301-306 p.
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Engineering and Technology
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URN: urn:nbn:se:liu:diva-49739OAI: oai:DiVA.org:liu-49739DiVA: diva2:270635
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-14

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Stafström, Sven

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