Open AccessThermoelectric Properties of 2,7-Dipyridylfluorene Derivatives in Single-Molecule Junctions
Author(s) -
Gilles Yzambart,
Laura Rincón-García,
Alaa A. Al-Jobory,
Ali K. Ismael,
Gabino RubioBollinger,
Colin J. Lambert,
Nicolás Agraı̈t,
Martin R. Bryce
Publication year - 2018
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.8b08488
Subject(s) - seebeck coefficient , break junction , thermoelectric effect , conductance , scanning tunneling microscope , molecule , substituent , materials science , density functional theory , quantum tunnelling , condensed matter physics , nanotechnology , crystallography , chemistry , computational chemistry , optoelectronics , stereochemistry , physics , thermodynamics , organic chemistry
A series of 2,7-dipyridylfluorene derivatives have been synthesized with different substituents (2H, 2Me, 2OMe, 2CF 3 , 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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom