Understanding coherent transport through π-Stacked systems upon spatial dislocation

Gemma C. Solomon, Josh Vura-Weis, Carmen Herrmann, Michael R. Wasielewski, Mark A. Ratner

Research output: Contribution to journalArticlepeer-review


We study the electron transport through π-stacked structures bound to metallic electrodes and in particular examine both the energy dependence and the effect of spatial dislocations on the electronic transmission. We compare these results with the predictions that can be made regarding the behavior of these systems from a model of the electronic coupling matrix elements derived from the splitting of monomer molecular orbitais in the dimer structure. We show that whereas these models agree reasonably well for predictions of nearresonant transport in a small stack of substituted benzene molecules, the relationship between these two approaches is less clear in larger structures, where the mechanisms and pathways can become more complex.

Original languageEnglish (US)
Pages (from-to)14735-14744
Number of pages10
JournalJournal of Physical Chemistry B
Issue number45
StatePublished - Dec 8 2010
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry


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