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Advanced Materials

Intermixing at the Pentacene-Fullerene Bilayer Interface: A Molecular Dynamics Study

Authors

  • Yao-Tsung Fu,

    1. School of Chemistry & Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
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  • Chad Risko,

    1. School of Chemistry & Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
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  • Jean-Luc Brédas

    Corresponding author
    1. School of Chemistry & Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
    2. Department of Chemistry, King Abdulaziz University, Jeddah 21589, Saudi Arabia
    • School of Chemistry & Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
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Abstract

Molecular dynamics simulations of the pentacene-C60 donor–acceptor interface reveal the potential for miscibility and disorder in “simple” bilayer organic photovoltaic architectures. The results fall in line with growing evidence of morphological complexity at such interfaces, and will impact descriptions of the electronic processes taking place during the photovoltaic effect.

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