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We report a method using scanning tunnelling microscope single molecularbreak junction to simultaneously measure and correlate the single-moleculethermopower and electrical conductance. In contrast to previously reportedapproaches, it does not require custom-built electronics and takes advantage ofa trace-by-trace calibration of the thermal offset at the Au/Au contact, thusgreatly facilitating thermoelectric measurements at the single-molecule level.We report measurements of three molecules:1,4-di(4-(ethynyl(phenylthioacetate)) benzene, 1,8-octanedithiol, and4,4'-bipyridine, and determine single-molecule Seebeck coefficients of 12(3),5(2), and -5(2) microV K-1, respectively. Furthermore, the method statisticallycorrelates the Seebeck voltage offset, electrical conductance, and stretchingdisplacement of the single-molecule junction, and allows for direct comparisonwith current-distance spectroscopy results obtained at constant bias.

A multivariate approach to single-molecule thermopower and electric conductance measurements