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Electrical molecular switch addressed by chemical stimuli

Abstract : We demonstrate that the conductance switching of benzo-bis(imidazole) molecules upon protonation depends on the lateral functional groups. The protonated H-substituted molecule shows a higher con-ductance than the neutral one (G pro > G neu), while the opposite (G neu > G pro) is observed for a molecule laterally functionalized by amino-phenyl groups. These results are demonstrated at various scale lengths: self-assembled monolayers, tiny nanodot-molecule junctions and single molecules. From ab initio theoretical calculations, we conclude that for the H-substituted molecule, the result G pro > G neu is correctly explained by a reduction of the LUMO-HOMO gap, while for the amino-phenyl functionnalized molecule, the result G neu > G pro is consistent with a shift of the HOMO, which reduces the density of states at the Fermi energy.
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Submitted on : Monday, May 4, 2020 - 2:35:34 PM
Last modification on : Tuesday, May 24, 2022 - 5:00:01 PM

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Hassib Audi, Yannick Viero, N Alwhaibi, Zhongrui Chen, Maksym Iazykov, et al.. Electrical molecular switch addressed by chemical stimuli. Nanoscale, Royal Society of Chemistry, 2020, 12 (18), pp.10127-10139. ⟨10.1039/D0NR02461A⟩. ⟨hal-02555592⟩

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