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

Yuya Tanaka, Yuya Kato, Kaho Sugimoto, Reo Kawano, Tomofumi Tada, Shintaro Fujii, Manabu Kiguchi, Munetaka Akita

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Here, we report multinuclear organometallic molecular wires having (2,5-diethynylthiophene)diyl-Ru(dppe)2repeating units. Despite the molecular dimensions of 2-4 nm the multinuclear wires show high conductance (up to 10−2to 10−3G0) 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 smallβvalues.

Original languageEnglish
Pages (from-to)4338-4344
Number of pages7
JournalChemical Science
Volume12
Issue number12
DOIs
Publication statusPublished - Mar 28 2021

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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