Charge Transport Properties of Molecular Junctions built from Dithiol Polyenes

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dc.creatorSchnurpfeil, Alexander
dc.creatorAlbrecht, Martin
dc.date2005-12-15
dc.date.accessioned2026-07-07T06:53:23Z
dc.date.available2026-07-07T06:53:23Z
dc.descriptionWe present a study of the charge transmission behavior of a series of dithiol polyenes in the context of molecular junctions. Using the Landauer theory and zero voltage approximation the Green's functions of the inserted molecules are calculated from a fully ab initio wave function based procedure. Various possibilities in approximating the correlation space are explored and quantitatively evaluated. Our results show that the transmission behavior of a molecular junction is not a monotonic function of the length of the employed molecule. Moreover we introduce the analytic solution of a suitable model system to countercheck the ab initio results and find a remarkable degree of correspondence.
dc.description30 pages, 7 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0512351
dc.identifierhttp://arxiv.org/abs/cond-mat/0512351
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/105567
dc.subjectMaterials Science
dc.titleCharge Transport Properties of Molecular Junctions built from Dithiol Polyenes
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