SIGLEAvailable from INIST (FR), Document Supply Service, under shelf-number : T 82818 / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc

Emanuel Lörtscher (1735873)

Florian Schwarz (607268)

Franziska Lissel (1684090)

Georg Kastlunger (1740355)

Heike Riel (1735870)

Heinz Berke (1470286)

Koushik Venkatesan (1483513)

Robert Stadler (1740358)

arXiv

Besides active, functional molecular building blocks such as diodes or switches, passive components, for example, molecular wires, are required to realize molecular-scale electronics. Incorporating metal centers in the molecular backbone enables the molecular energy levels to be tuned in respect to the Fermi energy of the electrodes. Furthermore, by using more than one metal center and sp-bridging ligands, a strongly delocalized electron system is formed between these metallic “dopants”, facilitating transport along the molecular backbone. Here, we study the influence of molecule–metal coupling on charge transport of dinuclear X(PP)2FeC4Fe(PP)2X molecular wires (PP = Et2PCH2CH2PEt2); X = CN (1), NCS (2), NCSe (3), C4SnMe3 (4), and C2SnMe3 (5) under ultrahigh vacuum and variable temperature conditions. In contrast to 1, which showed unstable junctions at very low conductance (8.1 × 10–7 G0), 4 formed a Au–C4FeC4FeC4–Au junction 4′ after SnMe3 extrusion, which revealed a conductance of 8.9 × 10–3 G0, 3 orders of magnitude higher than for 2 (7.9 × 10–6 G0) and 2 orders of magnitude higher than for 3 (3.8 × 10–4 G0). Density functional theory (DFT) confirmed the experimental trend in the conductance for the various anchoring motifs. The strong hybridization of molecular and metal states found in the C–Au coupling case enables the delocalized electronic system of the organometallic Fe2 backbone to be extended over the molecule–metal interfaces to the metal electrodes to establish high-conductive molecular wires

Schwarz, Florian

Kastlunger, Georg

Lissel, Franziska

Riel, Heike

Venkatesan, Koushik

Berke, Heinz

Stadler, Robert

Lörtscher, Emanuel

ZORA

High-conductive organometallic molecular wires with delocalized electron systems strongly coupled to metal electrodes

Florian Schwarz

Georg Kastlunger

Franziska Lissel

Heike Riel

Koushik Venkatesan

Heinz Berke

Robert Stadler

Emanuel Lörtscher

Crossref

Nano Letters

High-Conductive Organometallic Molecular Wires with Delocalized Electron Systems Strongly Coupled to Metal Electrodes

Lieutaud, Philippe

Institut National Polytechnique de Grenoble (INPG), 38 (France)

OpenGrey Repository

Etude d'un generateur electrique a grande vitesse de rotation

Besides
active, functional molecular building blocks such as diodes
or switches, passive components, for example, molecular wires, are
required to realize molecular-scale electronics. Incorporating metal
centers in the molecular backbone enables the molecular energy levels
to be tuned in respect to the Fermi energy of the electrodes. Furthermore,
by using more than one metal center and sp-bridging ligands, a strongly
delocalized electron system is formed between these metallic “dopants”,
facilitating transport along the molecular backbone. Here, we study
the influence of molecule–metal coupling on charge transport
of dinuclear X­(PP)2FeC4Fe­(PP)2X molecular
wires (PP = Et2PCH2CH2PEt2); X = CN (1), NCS (2), NCSe (3), C4SnMe3 (4), and C2SnMe3 (5) under ultrahigh vacuum and variable
temperature conditions. In contrast to 1, which showed
unstable junctions at very low conductance (8.1 × 10–7 G0), 4 formed a Au–C4FeC4FeC4–Au junction 4′
after SnMe3 extrusion, which revealed a conductance of
8.9 × 10–3 G0, 3 orders of magnitude
higher than for 2 (7.9 × 10–6 G0) and 2 orders of magnitude higher than for 3 (3.8 × 10–4 G0). Density functional
theory (DFT) confirmed the experimental trend in the conductance for
the various anchoring motifs. The strong hybridization of molecular
and metal states found in the C–Au coupling case enables the
delocalized electronic system of the organometallic Fe2 backbone to be extended over the molecule–metal interfaces
to the metal electrodes to establish high-conductive molecular wires

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High-Conductive Organometallic Molecular Wires with
Delocalized Electron Systems Strongly Coupled to Metal Electrodes

Etude d'un generateur electrique a grande vitesse de rotation

Abstract

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ZORA

Crossref

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