Extended curly arrow rules to rationalise and predict structural effects on quantum interference in molecular junctions

Temperature effects on quantum interference in molecular junctions

Phonon interference effects in molecular junctions.

We study coherent phonon transport through organic, π-conjugated molecules. Using first principles calculations and Green's function methods, we find that the phonon transmission function in cross-conjugated molecules, like meta-connected benzene, exhibits destructive quantum interference features very analogous to those observed theoretically and experimentally for electron transport in simila...

Quantum interference in thermoelectric molecular junctions: A toy model perspective

Gating of Quantum Interference in Molecular Junctions by Heteroatom Substitution

To guide the choice of future synthetic targets for single-molecule electronics, qualitative design rules are needed, which describe the effect of modifying chemical structure. Here the effect of heteroatom substitution on destructive quantum interference (QI) in single-molecule junctions is, for the first time experimentally addressed by investigating the conductance change when a "parent" met...

Probing electron-phonon excitations in molecular junctions by quantum interference

Electron-phonon coupling is a fundamental inelastic interaction in condensed matter and in molecules. Here we probe phonon excitations using quantum interference in electron transport occurring in short chains of anthraquinone based molecular junctions. By studying the dependence of molecular junction's conductance as a function of bias voltage and temperature, we show that inelastic scattering...