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Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Thermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions
AU - Yzambart, Gilles
AU - Rincón-García, Laura
AU - Al-Jobory, Alaa A.
AU - Ismael, Ali K.
AU - Rubio-Bollinger, Gabino
AU - Lambert, Colin J.
AU - Agraït, Nicolás
AU - Bryce, Martin R.
PY - 2018/12/6
Y1 - 2018/12/6
N2 - 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.
AB - 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.
U2 - 10.1021/acs.jpcc.8b08488
DO - 10.1021/acs.jpcc.8b08488
M3 - Journal article
AN - SCOPUS:85057557256
VL - 122
SP - 27198
EP - 27204
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 48
ER -