Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths
2005 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 412, no 4-6, 406-410 p.Article in journal (Refereed) Published
The coherent electron transportation properties of the gold-oligophenylene-gold junctions of different lengths have been studied by means of a generalized quantum chemical approach. The experimentally measured length dependence of current flow in the junctions has been well reproduced by the hybrid density functional theory calculations. It is found that the current-voltage characteristics of the junctions depend strongly on the metal-molecule bonding distances. With the help of the calculations, the possible gold-molecule bonding distances in the experimental devices are identified.
Place, publisher, year, edition, pages
2005. Vol. 412, no 4-6, 406-410 p.
self-assembled monolayers, atomic-force microscopy, wires, conductance, dependence, scattering, metal
IdentifiersURN: urn:nbn:se:kth:diva-15016DOI: 10.1016/j.cplett.2005.07.021ISI: 000231660800032ScopusID: 2-s2.0-23944509693OAI: oai:DiVA.org:kth-15016DiVA: diva2:333057
QC 201005252010-08-052010-08-052010-11-29Bibliographically approved