High voltage assisted mechanical stabilization of single-molecule junctions
arXiv:1705.08534 · doi:10.1021/acs.nanolett.8b01127
Abstract
The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant charge transport can induce vibrational instability of molecular bonds, leading to bond rupture under a bias voltage. In this work, we go beyond the wide-band approximation in order to study the phenomenon of vibrational instability in single molecule junctions and show that the energy-dependence of realistic molecule-leads couplings affects the mechanical stability of the junction. We show that the chemical bonds can be stabilized in the resonant transport regime by increasing the bias voltage on the junction. This research provides guidelines for the design of mechanically stable molecular devices operating in the regime of resonant charge transport.
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- Beyond Marcus theory and the Landauer-Buttiker approach in molecular junctions. II. A self-consistent Born approach
- Unraveling current-induced dissociation mechanisms in single-molecule junctions
- Electronic friction in interacting systems
- Non-Adiabatic Effects of Nuclear Motion in Quantum Transport of Electrons: A Self-Consistent Keldysh-Langevin Study
- Kinetic Schemes in Open Interacting Systems
- Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport: inclusion of electron-electron interactions
- Cooling molecular electronic junctions by AC current