Skip to main content

Research Repository

Advanced Search

Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives

Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R.


Hervé Dekkiche

Andrea Gemma

Fatemeh Tabatabaei

Thomas Niehaus

Bernd Gotsmann


We report the synthesis and the single-molecule transport properties of three new oligo(phenyleneethynylene) (OPE3) derivatives possessing terminal dihydrobenzo[b]thiophene (DHBT) anchoring groups and various core substituents (phenylene, 2,5-dimethoxyphenylene and 9,10-anthracenyl). Their electronic conductance and their Seebeck coefficient have been determined using scanning tunneling microscopy-based break junction (STM-BJ) experiments between gold electrodes. The transport properties of the molecular junctions have been modelled using DFT-based computational methods which reveal a specific binding of the sulfur atom of the DHBT anchor to the electrodes. The experimentally determined Seebeck coefficient varies between −7.9 and −11.4 μV K−1 in the series and the negative sign is consistent with charge transport through the LUMO levels of the molecules.


Dekkiche, H., Gemma, A., Tabatabaei, F., Batsanov, A. S., Niehaus, T., Gotsmann, B., & Bryce, M. R. (2020). Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives. Nanoscale, 12(36), 18908-18917.

Journal Article Type Article
Acceptance Date Aug 31, 2020
Online Publication Date Sep 9, 2020
Publication Date 2020-09
Deposit Date Oct 7, 2020
Publicly Available Date Oct 7, 2020
Journal Nanoscale
Print ISSN 2040-3364
Electronic ISSN 2040-3372
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 12
Issue 36
Pages 18908-18917


Published Journal Article (Crystal structure data) (56 Kb)

Publisher Licence URL

Copyright Statement
Crystal structure data This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

You might also like

Downloadable Citations