Controlling the conductance of molecular junctions using proton transfer reactions: A theoretical model study
arXiv:1611.01027 · doi:10.1063/1.4974512
Abstract
The influence of an intramolecular proton transfer reaction on the conductance of a molecular junction is investigated employing a generic model, which includes the effects of the electric field of the gate and leads electrodes and the coupling to a dissipative environment. Using a quantum master equation approach it is shown that, depending on the localization of the proton, the junction exhibits a high or low current state, which can be controlled by external electric fields. Considering different regimes, which range from weak to strong hydrogen bonds in the proton transfer complex and comprise situations with high and low barriers, necessary preconditions to achieve control are analyzed. The results show that systems with a weak hydrogen bond and a significant energy barrier for the proton transfer can be used as molecular transistors or diodes.
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Cited by in corpus (3)
- Unraveling current-induced dissociation mechanisms in single-molecule junctions
- Proton Tunneling in a Two-Dimensional Potential Energy Surface with a Non-linear System-Bath Interaction: Thermal Suppression of Reaction Rate
- Nonequilibrium reaction rate theory: Formulation and implementation within the hierarchical equations of motion approach