Issue 21, 2022

Orientational control of molecular scale thermoelectricity


Through a comprehensive theoretical study, we demonstrate that single-molecule junctions formed from asymmetric molecules with different terminal groups can exhibit Seebeck coefficients, whose sign depends on the orientation of the molecule within the junction. Three anthracene-based molecules are studied, one of which exhibits this bi-thermoelectric behaviour, due to the presence of a thioacetate terminal group at one end and a pyridyl terminal group at the other. A pre-requisite for obtaining this behaviour is the use of junction electrodes formed from different materials. In our case, we use gold as the bottom electrode and graphene-coated gold as the top electrode. This demonstration of bi-thermoelecricity means that if molecules with alternating orientations can be deposited on a substrate, then they form a basis for boosting the thermovoltage in molecular-scale thermoelectric energy generators (TEGs).

Graphical abstract: Orientational control of molecular scale thermoelectricity

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Article information

Article type
03 Aug 2022
03 Oct 2022
First published
07 Oct 2022
This article is Open Access
Creative Commons BY license

Nanoscale Adv., 2022,4, 4635-4638

Orientational control of molecular scale thermoelectricity

M. Alshammari, A. A. Al-Jobory, T. Alotaibi, C. J. Lambert and A. Ismael, Nanoscale Adv., 2022, 4, 4635 DOI: 10.1039/D2NA00515H

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