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• W2070846748 startingPage "4011" @default.
• W2070846748 abstract "Conductance switching through chemical modification of a molecular bridge is a major goal in molecular electronics, with the potential to lead to molecule-based functional devices. In terms of switching speed, mechanisms that rely on only minor rearrangements of molecular structures are particularly promising. We demonstrate, based on density functional theory calculations combined with a coherent tunneling approach, how protonation and deprotonation of amine-substituted or amine-bridged model molecular wires can switch off and on π-sites and thus: a) remove or introduce interference features in the electron transmission, and b) decrease or increase coupling along a chain. This mechanism may also be relevant for interactions between molecular bridges and metal cations, for example, in sensor applications." @default.
• W2070846748 created "2016-06-24" @default.
• W2070846748 creator A5015326891 @default.
• W2070846748 creator A5025242135 @default.
• W2070846748 date "2014-10-02" @default.
• W2070846748 modified "2023-10-10" @default.
• W2070846748 title "Controlling Molecular Conductance: Switching Off π Sites through Protonation" @default.
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• W2070846748 doi "https://doi.org/10.1002/cphc.201402561" @default.
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• W2070846748 hasPublicationYear "2014" @default.
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