Diradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Length

dc.contributor.authorStuyver, Thijs
dc.contributor.authorZeng, Tao
dc.contributor.authorTsuji, Yuta
dc.contributor.authorGeerlings, Paul
dc.contributor.authorDe Proft, Frank
dc.date.accessioned2020-04-17T20:55:06Z
dc.date.available2020-04-17T20:55:06Z
dc.date.issued2018-10-22
dc.description.abstractIn recent years, a considerable interest has grown in the design of molecular nanowires with an increasing conductance with length. The development of such nanowires is highly desirable since they could play an important role in future molecular-scale circuitry. Whereas the first experimental observation of this non-classical behaviour still has to be realized, a growing number of candidate wires have been proposed theoretically. In this Letter, we point out that all the wires with an anti-Ohmic increasing conductance with length proposed so far share a common characteristic: their diradical character increases with length. The conceptual connection between diradical character and conductance enables a systematic design of such anti-Ohmic wires and explains the difficulty in their syntheses. A strategy is proposed to balance the stability and conductance, so that this non-classical phenomenon can be observed.en_US
dc.identifier.citationNano Letters 18.11 (2018): 7298-7304.en_US
dc.identifier.urihttps://doi.org/10.1021/acs.nanolett.8b03503en_US
dc.identifier.urihttps://hdl.handle.net/10315/37198
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.rights.articlehttps://pubs.acs.org/doi/10.1021/acs.nanolett.8b03503en_US
dc.rights.journalhttps://pubs.acs.org/journal/nalefden_US
dc.rights.publisherhttps://pubs.acs.org/en_US
dc.titleDiradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Lengthen_US
dc.typeArticleen_US

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