"doping" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire

Yuya Tanaka, Yuya Kato, Tomofumi Tada, Shintaro Fujii, Manabu Kiguchi, Munetaka Akita

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17 Citations (Scopus)


Exploration of highly conductive molecules is essential to achieve single-molecule electronic devices. The present paper describes the results on single-molecule conductance study of polyyne wires doped with the organometallic Ru(dppe)2 fragment, X - (C≡C)n - Ru(dppe)2 - (C≡C)n - X. The metallapolyyne wires end-capped with the gold fragments (X = AuL) are subjected to single-molecule conductance measurements with the STM break junction technique, which reveal the high conductance (10-3-10-2 G0; n = 2-4) with the low attenuation factor (0.25 Å-1) and the low contact resistance (33 kω). A unique "'doping'" effect of Ru(dppe)2 fragment was found to lead to the high performance as suggested by the hybrid density functional theory-nonequilibrium green function calculation.

Original languageEnglish
Pages (from-to)10080-10084
Number of pages5
JournalJournal of the American Chemical Society
Issue number32
Publication statusPublished - Aug 15 2018
Externally publishedYes


All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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