STM measurements and DFT calculations to study 3 bi-thermoelectric endohedral metallofullerenes, benchmarked against C60, show that the fluctuations in S are correlated with the charge inhomogeneity and the geometrical disorder within the junction.

No abstract

Through a comprehensive study, we demonstrate that single-molecule junctions formed from asymmetric molecules with different terminal groups can exhibit Seebeck coefficients, whose sign depends on the orientation of the molecule within the junction.