Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal-metal interaction

Here, we report multinuclear organometallic molecular wires having (2,5-diethynylthiophene)diyl-Ru(dppe) 2 repeating units. Despite the molecular dimensions of 2-4 nm the multinuclear wires show high conductance (up to 10 −2 to 10 −3 G 0 ) at the single-molecule level with small attenuation factors...

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Bibliographic Details
Published in:Chemical science (Cambridge) 2021-01, Vol.12 (12), p.4338-4344
Main Authors: Tanaka, Yuya, Kato, Yuya, Sugimoto, Kaho, Kawano, Reo, Tada, Tomofumi, Fujii, Shintaro, Kiguchi, Manabu, Akita, Munetaka
Format: Article
Language:English
Subjects:
Attenuation
Carrier transport
Chemistry
Crystallography
Electrons
Fermi level
Organometallic compounds
Resistance
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Summary:Here, we report multinuclear organometallic molecular wires having (2,5-diethynylthiophene)diyl-Ru(dppe) 2 repeating units. Despite the molecular dimensions of 2-4 nm the multinuclear wires show high conductance (up to 10 −2 to 10 −3 G 0 ) at the single-molecule level with small attenuation factors ( β ) as revealed by STM-break junction measurements. The high performance can be attributed to the efficient energy alignment between the Fermi level of the metal electrodes and the HOMO levels of the multinuclear molecular wires as revealed by DFT-NEGF calculations. Electrochemical and DFT studies reveal that the strong Ru-Ru interaction through the bridging ligands raises the HOMO levels to access the Fermi level, leading to high conductance and small β values. Multinuclear organometallic molecular wires having (diethynylthiophene)diyl-Ru(dppe) 2 repeating units show high conductance with small attenuation factors. The strong Ru-Ru interaction is the key for the long-range carrier transport.
ISSN:2041-6520
2041-6539
DOI:10.1039/d0sc06613c