A joint experimental and theoretical study on the conductance of single molecules, with CONQUEST used as the electronic structure component of the conductance calculations. The study used electrochemical gating to measure the conductance and map the transmission functions of single molecules at and around the Fermi energy, and to study signatures associated with constructive and destructive interference. The quantum interference between the highest occupied molecular orbital and lowest unoccupied molecular orbital was tuned using an electrochemical gate, and anti-resonance, a distinct feature of destructive interference, was directly observed[1]. It is available on arXiv

[1] Nature Mater. 18, 357 (2019) DOI:10.1038/s41563-018-0280-5

This entry was posted on 2019/2/11.