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“Doping” of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire

Author(s):

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

Journal:

Journal of the American Chemical Society

Year:

2018

Volume:

140

Pages

10080-10084

DOI:

10.1021/jacs.8b04484

Abstract:

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 endcapped 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.

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