“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(CC)nRu-
(dppe)2(CC)nX. 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.