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

Citation for published item: zmrtD qilles nd in¡ onEqr¡ %D vur nd elEtooryD el eF nd ssmelD eli uF nd uioEfollingerD qino nd vmertD golin tF nd egr¤ %tD xiol¡ s nd fryeD wrtin F @PHIVA 9hermoeletri properties of PDUEdipyridyl)uorene derivtives in singleEmoleule juntionsF9D tournl of physil hemistry gFD IPP @RVAF ppF PUIWVEPUPHRF The full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study,
more » ... ational, or not-for-prot purposes provided that: • a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders. Please consult the full DRO policy for further details. ABSTRACT A series of 2,7-dipyridylfluorene derivatives has 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 (STM-BJ) 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 (DFT) 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. -28049 Madrid, Spain  These authors contributed equally to this work.
doi:10.1021/acs.jpcc.8b08488.s001 fatcat:yp6fmjupibcifjtyv2qynv2tgi