Abstract
A new mechanism for optical switching of nanoscale single-molecule junctions between different conductance states is proposed. The mechanism is based on photoinduced excited state hydrogen transfer in the molecular bridge. Employing first principles electronic structure and transport calculations for prototype examples it is shown that the keto and enol tautomeric forms of the molecular bridge exhibit very different conductance properties, which realize the ‘on’ and ‘off’ states of the molecular switch. The feasibility and robustness of the mechanism is analyzed in some detail.
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