Effects of electrode distances on geometric structure and electronic transport properties of molecular 4,4'-bipyridine junction
2006 (English)In: Journal of Physics: Conference Series, ISSN 1742-6588, Vol. 29, no 1, 110-114 p.Article in journal (Refereed) Published
Influences of electrode distances on geometric structure of molecule and on electronic transport properties of molecular junctions have been investigated by means of a generalized quantum chemical approach based on the elastic scattering Green's function method. Numerical results show that, for organic molecule 4,4'-bipyridine, the geometric structure of the molecule especially the dihedral angle between the two pyridine rings is sensitive to the distances between the two electrodes. The currents of the molecular junction are taken nonlinearly increase with the increase of the bias. Shortening the distance of the metallic electrodes will result in stronger coupling and larger conductance.
Place, publisher, year, edition, pages
2006. Vol. 29, no 1, 110-114 p.
IdentifiersURN: urn:nbn:se:kth:diva-156370DOI: 10.1088/1742-6596/29/1/021ScopusID: 2-s2.0-32144438703OAI: oai:DiVA.org:kth-156370DiVA: diva2:766432
QC 201411272014-11-272014-11-262015-10-14Bibliographically approved