Switching the Conductance of a Molecular Junction using a Proton Transfer Reaction

Abstract

A novel mechanism for switching a molecular junction based on a proton transfer reaction triggered by an external electrostatic field is proposed. As a specific example to demonstrate the feasibility of the mechanism, the tautomers [2,5-(4-hydroxypyridine)] and {2,5-[4(1H)-pyridone]} are considered. Employing a combination of first-principles electronic structure calculations and Landauer transport theory, we show that both tautomers exhibit very different conductance properties and realize the "on" and "off" states of a molecular switch. Moreover, we provide a proof of principle that both forms can be reversibly converted into each other using an external electrostatic field.

14 pages, 5 figures

References in corpus (7)

• Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions
• Tuning the conductance of a molecular switch
• Resonant Electron Transport in Single-Molecule Junctions: Vibrational Excitation, Rectification, Negative Differential Resistance and Local Cooling
• Non-linear response of molecular junctions: The polaron model revisited
• Molecular switch controlled by pulsed bias voltages
• Vibrationally Induced Decoherence in Single-Molecule Junctions
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Cited by in corpus (5)

• Nonequilibrium reaction rate theory: Formulation and implementation within the hierarchical equations of motion approach
• Controlling the conductance of molecular junctions using proton transfer reactions: A theoretical model study
• Multipeak Negative Differential Resistance from Interplay between Nonlinear Stark Effect and Double-Branch Current Flow
• New memory devices based on the proton transfer process
• Contacts for organic switches with carbon-nanotube leads