Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions

Yzambart, Gilles; Rincón-García, Laura; Al-Jobory, Alaa A.; Ismael, Ali K.; Rubio-Bollinger, Gabino; Lambert, Colin J.; Agraït, Nicolás; Bryce, Martin R.

doi:10.1021/acs.jpcc.8b08488

Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions

Yzambart, Gilles; Rincón-García, Laura; Al-Jobory, Alaa A.; Ismael, Ali K.; Rubio-Bollinger, Gabino; Lambert, Colin J.; Agraït, Nicolás; Bryce, Martin R.

Authors

Gilles Yzambart

Laura Rincón-García

Alaa A. Al-Jobory

Ali K. Ismael

Gabino Rubio-Bollinger

Colin J. Lambert

Nicolás Agraït

Professor Martin Bryce m.r.bryce@durham.ac.uk
Professor

Abstract

A series of 2,7-dipyridylfluorene derivatives have been synthesized with different substituents (2H, 2Me, 2OMe, 2CF3, and O) at the C(9) position. Experimental measurements on gold|single-molecule|gold junctions, using a modified scanning tunneling microscope-break-junction technique, show that the C(9) substituent has little effect on the conductance, although there is a more significant influence on the thermopower, with the Seebeck coefficient varying by a factor of 1.65 within the series. The combined experimental and computational study, using density functional theory calculations, provides insights into the interplay of conductance and thermopower in single-molecule junctions and is a guide for new strategies for thermopower modulation in single-molecule junctions.

Citation

Yzambart, G., Rincón-García, L., Al-Jobory, A. A., Ismael, A. K., Rubio-Bollinger, G., Lambert, C. J., …Bryce, M. R. (2018). Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions. Journal of Physical Chemistry C, 122(48), 27198-27204. https://doi.org/10.1021/acs.jpcc.8b08488

Journal Article Type	Article
Online Publication Date	Nov 21, 2018
Publication Date	Dec 6, 2018
Deposit Date	Nov 28, 2018
Publicly Available Date	Nov 21, 2019
Journal	Journal of Physical Chemistry C
Print ISSN	1932-7447
Electronic ISSN	1932-7455
Publisher	American Chemical Society
Peer Reviewed	Peer Reviewed
Volume	122
Issue	48
Pages	27198-27204
DOI	https://doi.org/10.1021/acs.jpcc.8b08488

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Copyright Statement
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of physical chemistry C copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpcc.8b08488