TY - JOUR
T1 - "doping" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire
AU - Tanaka, Yuya
AU - Kato, Yuya
AU - Tada, Tomofumi
AU - Fujii, Shintaro
AU - Kiguchi, Manabu
AU - Akita, Munetaka
N1 - Funding Information:
The present paper is dedicated to Professor Isao Saito on the occasion of his 77th birthday. We thank Prof. Ken Motokura (Tokyo Tech.) for assistance of XPS measurements. This work was supported by JSPS KAKENHI Grant Number 18K05139 and a research granted from The Murata Science Foundation. T.T. acknowledges the support by Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan (Grant-in-Aid for Scientific Research on Innovative Areas, π-figuration: no. 26102017). The computations were performed by using the facility of the Research Center for Computational Science, Okazaki, Japan and the TSUBAME3.0 supercomputer in the Tokyo Tech.
Publisher Copyright:
© 2018 American Chemical Society.
PY - 2018/8/15
Y1 - 2018/8/15
N2 - 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.
AB - 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.
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U2 - 10.1021/jacs.8b04484
DO - 10.1021/jacs.8b04484
M3 - Article
C2 - 29962208
AN - SCOPUS:85049636960
SN - 0002-7863
VL - 140
SP - 10080
EP - 10084
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 32
ER -