Quantum interference: The structural dependence of electron transmission through model systems and cross-conjugated molecules

David Q. Andrews, Gemma C. Solomon, Randall H. Goldsmith, Thorsten Hansen, Michael R Wasielewski, Richard P. Van Duyne, Mark A Ratner

Research output: Contribution to journalArticle

46 Citations (Scopus)


We report on a class of molecules that exhibit nonlinear current/voltage behavior in the low bias tunneling regime. This interesting behavior is attributed to quantum interference. Using site models, we show that interference features, while common, do not necessarily occur at experimentally relevant energies, hindering realization in transport measurements. Calculations made using a nonequilibrium Green's function code show that quantum interference can be experimentally relevant in cross-conjugated molecules. A detailed bond length analysis of cross-conjugated molecules gives insight into why these molecules have interference at energetically accessible regions. The interference features are shown to be stable to both an electronic dephasing analysis and geometric fluctuations provided by molecular dynamics.

Original languageEnglish
Pages (from-to)16991-16998
Number of pages8
JournalJournal of Physical Chemistry C
Issue number43
Publication statusPublished - Oct 30 2008


ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

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