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.

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
• Public URL: https://durham-repository.worktribe.com/output/1313206