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arXiv · 2005.00080

Electrical molecular switch addressed by chemical stimuli

H. Audi·Y. Viero·N. Alwhaibi·Z. Chen·M. Iazykov·A. Heynderickx·F. Xiao·D. Guerin·C Krzeminski·I. M. Grace·C. J. Lambert·O. Siri·D. Vuillaume·S Lenfant·H. Klein
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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 conductance than the neutral one (Gpro>Gneu), while the opposite (Gneu>Gpro) is observed for a molecule laterally functionalized by amino-phenyl groups. These results are demonstrated at various scale lengths : self-assembled monolayer, tiny nanodot-molecule junction and single molecules. From ab-initio theoretical calculations, we conclude that for the H-substituted molecule, the result Gpro>Gneu is correctly explained by a reduction of the LUMO-HOMO gap, while for the amino-phenyl functionnalized molecule, the result Gneu>Gpro is consistent with a shift of HOMO, which reduces the density of states at the Fermi energy.

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H. Audi, Y. Viero, N. Alwhaibi, Z. Chen, M. Iazykov, A. Heynderickx, F. Xiao, D. Guerin, C Krzeminski, I. M. Grace, C. J. Lambert, O. Siri, D. Vuillaume, S Lenfant, H. Klein. 2020-04-30. Electrical molecular switch addressed by chemical stimuli. https://doi.org/10.1039/d0nr02461a

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