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

Yzambart, Gilles and Rincón-García, Laura and Al-Jobory, Alaa A. and Ismael, Ali K. and Rubio-Bollinger, Gabino and Lambert, Colin J. and Agraït, Nicolás and Bryce, Martin R. (2018) Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions. Journal of Physical Chemistry C, 122 (48). pp. 27198-27204. ISSN 1932-7447

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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.

Item Type:
Journal Article
Journal or Publication Title:
Journal of Physical Chemistry C
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/2500/2508
Subjects:
ID Code:
137669
Deposited By:
Deposited On:
08 Oct 2019 14:10
Refereed?:
Yes
Published?:
Published
Last Modified:
24 Nov 2020 07:59