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• W2317485461 startingPage "4154" @default.
• W2317485461 abstract "Through first-principles electron transport simulations using the nonequilibrium Green’s function formalism together with density functional theory, we show that, upon H-tautomerization, a simple derivative of quinone can act as a molecular switch with high ON/OFF ratio, up to 70 at low bias voltage. This switching behavior is explained by the quantum interference effect, where the positional change of hydrogen atoms causes the energies of the transmission channels to overlap. Our results suggest that this molecule could have potential applications as an effective switching device." @default.
• W2317485461 created "2016-06-24" @default.
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• W2317485461 date "2015-08-07" @default.
• W2317485461 modified "2023-09-23" @default.
• W2317485461 title "High On/Off Conductance Switching Ratio via H-Tautomerization in Quinone" @default.
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• W2317485461 doi "https://doi.org/10.1021/acs.jctc.5b00505" @default.
• W2317485461 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26575910" @default.
• W2317485461 hasPublicationYear "2015" @default.
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