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Two Possible Configurations for Silver-C-60-Silver Molecular Devices and Their Conductance Characteristics
KTH, School of Biotechnology (BIO), Theoretical Chemistry.ORCID iD: 0000-0002-3915-300X
2009 (English)In: Chinese Physics Letters, ISSN 0256-307X, E-ISSN 1741-3540, Vol. 26, no 6, 068501- p.Article in journal (Refereed) Published
Abstract [en]

Coherent electronic transport properties of silver-C-60-silver molecular junctions in different configurations are studied using hybrid density function theory. The experimentally measured current flows of C-60 molecules adsorbed on the silver surface are well reproduced by theoretical calculations. It is found that the current-voltage characteristics of the molecular junctions depend strongly on the configurations of the junctions. Transmission spectra combined with density of states can help us to understand in depth the transport properties. Different kinds of electrode construction are also discussed. With the help of the calculation, two possible configurations of silver-C-60-silver molecular junctions are suggested.

Place, publisher, year, edition, pages
2009. Vol. 26, no 6, 068501- p.
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-32793ISI: 000266549300078ScopusID: 2-s2.0-68449084162OAI: diva2:412779
QC 20110426Available from: 2011-04-26 Created: 2011-04-20 Last updated: 2011-04-26Bibliographically approved

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