Ab initio study of the electron transport in dithienylethene photochromic molecules attached to gold leads
2008 (English)In: Journal of Physics, Conference Series, ISSN 1742-6588, E-ISSN 1742-6596, Vol. 100, no 5, 052061- p.Article in journal (Refereed) Published
We report a theoretical study of single molecule conduction in open and closed conformations of photochromic dithienylethene molecules attached to metallic leads. Photochromic molecules are attractive candidates for use in molecular electronics because of the switching between different states with different conducting behavior. We also investigate the switching behavior of the molecule based on total energy calculations for intermediate conformations along the reaction path. The results are compared to earlier work.
Place, publisher, year, edition, pages
2008. Vol. 100, no 5, 052061- p.
Ab initio study, Conducting behavior, Dithienylethene, Electron transport, Intermediate conformation, Metallic leads, Photochromic molecules, Reaction paths, Single molecule, Switching behaviors, Theoretical study, Total energy calculation, Molecular electronics, Molecules, Photochromism, Reaction intermediates
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-8605DOI: 10.1088/1742-6596/100/5/052061ISI: 000275655200157ScopusID: 2-s2.0-77954319826OAI: oai:DiVA.org:kth-8605DiVA: diva2:13972
QC 201011192008-06-022008-06-022011-03-04Bibliographically approved