Quantum Interference and Contact Effects in the Thermoelectric Performance of Anthracene-Based Molecules.

ABSTRACT: We report on the single-molecule electronic and thermoelectric properties of strategically chosen anthracene-based molecules with anchor groups capable of binding to noble metal substrates, such as gold and platinum. Specifically, we study the effect of different anchor groups, as well as quantum interference, on the electric conductance and the thermopower of gold/single-molecule/gold junctions and generally find good agreement between theory and experiments. All molecular junctions display transport characteristics consistent with coherent transport and a Fermi alignment approximately in the middle of the highest occupied molecular orbital/lowest unoccupied molecular orbital gap. Single-molecule results are in agreement with previously reported thin-film data, further supporting the noti

SUBMITTER: Hamill JM 

PROVIDER: S-EPMC10123663 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature