Probing molecule-metal bonding in molecular junctions by inelastic electron tunneling spectroscopy
2006 (English)In: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 6, no 8, 1693-1698 p.Article in journal (Refereed) Published
We present first-principles calculations for the inelastic electron tunneling spectra ( IETS) of three molecules, 1-undecane thiol (C11), alpha, omega-bis(thioacetyl)oligophenylenethynylene (OPE), and alpha,omega-bis(thioacetyl) oligophenylenevinylene (OPV), sandwiched between two gold electrodes. We have demonstrated that IETS is very sensitive to the bonding between the molecule and electrodes. In comparison with experiment of Kushmerick et al. (Nano Lett. 2004, 4, 639), it has been concluded that the C11 forms a strong chemical bond, while the bonding of the OPE and OPV systems are slightly weaker. All experimental spectral features have been correctly assigned.
Place, publisher, year, edition, pages
2006. Vol. 6, no 8, 1693-1698 p.
Chemical bonds; Electrodes; Electron tunneling; Organic compounds; First principles calculations; Inelastic electron tunneling spectra (IETS); Molecular junctions; Molecule-metal bonding; article; binding site; chemical model; chemical structure; chemistry; computer simulation; elasticity; electron transport; energy filtered transmission electron microscopy; methodology; microelectrode; scanning tunneling microscopy; Binding Sites; Computer Simulation; Elasticity; Electron Transport; Metals; Microelectrodes; Microscopy, Energy-Filtering Transmission Electron; Microscopy, Scanning Tunneling; Models, Chemical; Models, Molecular; Nanostructures; Polymers
Biochemistry and Molecular Biology
IdentifiersURN: urn:nbn:se:kth:diva-6989DOI: 10.1021/nl060951wISI: 000239623900021ScopusID: 2-s2.0-33748329697OAI: oai:DiVA.org:kth-6989DiVA: diva2:11856
QC 201007302007-04-172007-04-172010-07-30Bibliographically approved