Nanoscale · 2019 · 39 citations · 26 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsElectronic MaterialsQuantum ChemistryCross-coupling ReactionsElectronic EffectsOrganic Electronic MaterialsOrganic SemiconductorsStrongly Correlated Electron SystemsSubstituent EffectsConjugated MoleculesConjugation EffectsOrganic FluorophoresQuantum InterferenceQuantum Interference Effects
Charge transport is strongly suppressed by destructive quantum interference (DQI) in meta-connected 1,1'-biphenyl-containing molecules, resulting in low electrical conductance. Surprisingly, we have found that DQI is almost entirely overcome by adding a bridging carbonyl, to yield a cross-conjugated fluorenone. This contrasts with other π-systems, such as para-connected anthraquinone, where cross-conjugation results in low conductance.
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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Natural Sciences, Chemistry, Physics +17
Observation of quantum interference in molecular charge transport
Constant M. Guédon, Hennie Valkenier, Troels Markussen et al. · Nature Nanotechnology · 2012 · 568 citations · Full text
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Wenjing Hong, David Zsolt Manrique, Pavel Moreno‐García et al. · Journal of the American Chemical Society · 2011 · 462 citations
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