Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Electrical molecular switch addressed by chemical stimuli
AU - Audi, H.
AU - Viero, Y.
AU - Alwhaibi, N.
AU - Chen, Z.
AU - Iazykov, M.
AU - Heynderickx, A.
AU - Xiao, F.
AU - Guérin, D.
AU - Krzeminski, C.
AU - Grace, I.M.
AU - Lambert, C.J.
AU - Siri, O.
AU - Vuillaume, D.
AU - Lenfant, S.
AU - Klein, H.
PY - 2020/5/14
Y1 - 2020/5/14
N2 - 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 monolayers, tiny nanodot-molecule junctions 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 the HOMO, which reduces the density of states at the Fermi energy.
AB - 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 monolayers, tiny nanodot-molecule junctions 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 the HOMO, which reduces the density of states at the Fermi energy.
U2 - 10.1039/d0nr02461a
DO - 10.1039/d0nr02461a
M3 - Journal article
VL - 12
SP - 10127
EP - 10139
JO - Nanoscale
JF - Nanoscale
SN - 2040-3372
IS - 18
ER -