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

被引：21

作者：

Dekkiche, Herve ^{[1
]}

Gemma, Andrea ^{[2
]}

Tabatabaei, Fatemeh ^{[3
]}

Batsanov, Andrei S. ^{[1
]}

Niehaus, Thomas ^{[3
]}

Gotsmann, Bernd ^{[2
]}

Bryce, Martin R. ^{[1
]}

机构：

[1] Univ Durham, Dept Chem, Durham DH1 3LE, England

[2] IBM Res Zurich, CH-8803 Ruschlikon, Switzerland

[3] Univ Claude Bernard Lyon 1, CNRS, Inst Lundere Mat, F-69622 Villeurhanne, France

来源：

NANOSCALE | 2020年 / 12卷 / 36期

基金：

英国工程与自然科学研究理事会;

关键词：

THERMOELECTRIC PROPERTIES; COMPLEX MATERIALS; TRANSPORT; SIMULATIONS;

D O I：

10.1039/d0nr04413j

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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 mu V K(-1)in the series and the negative sign is consistent with charge transport through the LUMO levels of the molecules.

引用

页码：18908 / 18917

页数：10

共 57 条

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