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

Thijs Stuyver, Tao Zeng, Yuta Tsuji, Paul Geerlings, Frank De Proft

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

In 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 because they could play an important role in future molecular-scale circuitry. Whereas the first experimental observation of this nonclassical behavior 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 nonclassical phenomenon can be observed.

Original languageEnglish
Pages (from-to)7298-7304
Number of pages7
JournalNano Letters
Volume18
Issue number11
DOIs
Publication statusPublished - Nov 14 2018

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All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

Cite this

Diradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Length. / Stuyver, Thijs; Zeng, Tao; Tsuji, Yuta; Geerlings, Paul; De Proft, Frank.

In: Nano Letters, Vol. 18, No. 11, 14.11.2018, p. 7298-7304.

Research output: Contribution to journalArticle

Stuyver, Thijs ; Zeng, Tao ; Tsuji, Yuta ; Geerlings, Paul ; De Proft, Frank. / Diradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Length. In: Nano Letters. 2018 ; Vol. 18, No. 11. pp. 7298-7304.
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