Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00544961" target="_blank" >RIV/61388955:_____/21:00544961 - isvavai.cz</a>

Alternative codes found

RIV/68378271:_____/21:00580138

Result on the web

<a href="http://hdl.handle.net/11104/0321747" target="_blank" >http://hdl.handle.net/11104/0321747</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d1ta05324h" target="_blank" >10.1039/d1ta05324h</a>

Result language

angličtina

Original language name

Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?

Original language description

A new experimental method for the simultaneous determination of the electric and thermoelectric properties of metal-molecule-metal junctions at the single-molecule level has been developed to test the effects of the junction configuration on the thermopower properties. The method is based on dynamic switching between (thermo)electric current and thermoelectric voltage measurements. Two model systems, 4,4′-bipyridine (1) and 4,4′-diaminostilbene (2), have been scrutinized. Single-molecule conductance (G) and thermopower (S) values were obtained for the two most probable junction configurations of 1 and 2, each having two different conductance values, GH (high) and GL (low), where GH > GL. Thermopower values of S(GH) =6.4 ± 1.5 μV K-1 and S(GL) =7.0 ± 1.6 μV K-1 were obtained for the molecular junctions of 1 and values of S(GH) = +14.4 ± 3.5 μV K-1 and S(GL) = +10.4 ± 3.0 μV K-1 were obtained for the molecular junctions of 2. The GH and S(GH) values for 1 and 2 are consistent with previously reported results. Thermopower values obtained simultaneously with conductance measurements for both configurations of 2 during junction evolution are reported for the first time. This work shows that, within experimental error, both S values are the same for each molecule, i.e., S(GH) ≈ S(GL), and they do not depend on the molecular junction configuration. This is an important finding, which supports claims that thermopower is an intensive property of matter. DFT calculations of transmission functions combined with a non-equilibrium Green's function approach complete this study.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Materials Chemistry A

ISSN

2050-7488

e-ISSN

2050-7496

Volume of the periodical

9

Issue of the periodical within the volume

32

Country of publishing house

GB - UNITED KINGDOM

Number of pages

9

Pages from-to

17512-17520

UT code for WoS article

000683040900001

EID of the result in the Scopus database

2-s2.0-85113145507