Lateral electron transport in monolayers of short chains at interfaces: A Monte Carlo study

Christopher B. George, Igal Szleifer, Mark A. Ratner

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical diffusion of electroactive chains and electron hopping between redox-active sites. Results indicate that by varying the monolayer density, the mole fraction of electroactive chains, and the electron hopping range, the dominant charge transport mechanism can be changed. For high density monolayers in a semi-crystalline phase, electron diffusion proceeds via electron hopping almost exclusively, leading to static percolation behavior. In fluid monolayers, the diffusion of chains may contribute more to the overall electronic diffusion, reducing the observed static percolation effects.

Original languageEnglish
Pages (from-to)503-507
Number of pages5
JournalChemical Physics
Volume375
Issue number2-3
DOIs
Publication statusPublished - Oct 5 2010

Keywords

  • Electron transfer
  • Melting transition
  • Redox-active monolayer
  • Static percolation

ASJC Scopus subject areas

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

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