Molecular design of electron transport with orbital rule

Toward conductance-decay free molecular junctions

Tomofumi Tada, Kazunari Yoshizawa

Research output: Contribution to journalReview article

16 Citations (Scopus)

Abstract

In this study, we report our viewpoint of single molecular conductance in terms of frontier orbitals. The orbital rule derived from orbital phase and amplitude is a powerful guideline for the qualitative understanding of molecular conductance in both theoretical and experimental studies. The essence of the orbital rule is the phase-related quantum interference, and on the basis of this rule a constructive or destructive pathway for electron transport is easily predicted. We have worked on the construction of the orbital rule for more than ten years and recently found from its application that π-stacked molecular junctions fabricated experimentally are in line with the concept for conductance-decay free junctions. We explain the orbital rule using benzene molecular junctions with the para-, meta- and ortho-connections and discuss linear π-conjugated chains and π-stacked molecular junctions with respect to their small decay factors in this manuscript.

Original languageEnglish
Pages (from-to)32099-32110
Number of pages12
JournalPhysical Chemistry Chemical Physics
Volume17
Issue number48
DOIs
Publication statusPublished - 2015

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Benzene
orbitals
decay
electrons
Electron Transport
benzene
interference

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Molecular design of electron transport with orbital rule : Toward conductance-decay free molecular junctions. / Tada, Tomofumi; Yoshizawa, Kazunari.

In: Physical Chemistry Chemical Physics, Vol. 17, No. 48, 2015, p. 32099-32110.

Research output: Contribution to journalReview article

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