Resonance conductance is often inelastic; in the course of the tunneling event, electron energy is channeled into vibrational modes and triggers molecular dynamics. The qualitative physics underlying resonance-mediated dynamics in conduction junctions is simple and general. Equilibrium displacement between the initial and resonant states produces a nonstationary superposition in the nuclear subspace that evolves during the resonance lifetime. Upon electronic relaxation the system is internally excited and interesting dynamics is likely to ensue. Here we develop a time-domain ensemble scattering theory to describe the competition between current-driven excitation and environment-induced dissipation in conduction junctions. The theory incorporates the full quantum dynamics in the vibrational subspace in the presence of tunneling current. It illustrates that inclusion of vibrational coherences is important to accurately predict the dynamics induced by current in molecular devices. In appropriate limits, this approach reduces to both the standard master equation treatment for vibrational heating and the Landauer formalism for purely elastic transport. In the talk I will sketch the qualitative physics underlying current-driven surface phenomena, briefly discuss the theory and describe the results of recent and ongoing research. In particular, I will apply the theory to three very different reactions that were observed in different laboratories. These processes have one common feature, namely, all three were earlier shown to be impossible. They should not have happened.

Current-driven phenomena in nano-toys: Defeats, victories and directions

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.