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New Insights into the Molecular Dynamics of P3HT:PCBM Bulk Heterojunction: A Time-of-Flight Quasi-Elastic Neutron Scattering Study

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    New Insights into the Molecular Dynamics of P3HT:PCBM Bulk Heterojunction: A Time-of-Flight Quasi-Elastic Neutron Scattering Study
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    † Centre for Plastic Electronics and Department of Physics, Blackett Laboratory, Imperial College London, London SW7 2AZ, United Kingdom
    ‡ Institut Laue-Langevin, 71 avenue des Martyrs, Grenoble Cedex 9, 38042, France
    § Centre for Plastic Electronics and Department of Chemistry, Imperial College London, London SW7 2AZ, United Kingdom
    ⊥ Materials Research Institute and School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London E1 4NS, United Kingdom
    *E-mail: [email protected]; Phone: +(44) (0)2075947563.
    *E-mail: [email protected]; Phone: +33 (0)4 76 20 7803.
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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2016, 7, 12, 2252–2257
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    https://doi.org/10.1021/acs.jpclett.6b00537
    Published May 19, 2016
    Copyright © 2016 American Chemical Society
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    Abstract

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    The molecular dynamics of organic semiconductor blend layers are likely to affect the optoelectronic properties and the performance of devices such as solar cells. We study the dynamics (5–50 ps) of the poly(3-hexylthiophene) (P3HT): phenyl-C61-butyric acid methyl ester (PCBM) blend by time-of-flight quasi-elastic neutron scattering, at temperatures in the range 250–360 K, thus spanning the glass transition temperature region of the polymer and the operation temperature of an OPV device. The behavior of the QENS signal provides evidence for the vitrification of P3HT upon blending, especially above the glass transition temperature, and the plasticization of PCBM by P3HT, both dynamics occurring on the picosecond time scale.

    Copyright © 2016 American Chemical Society

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpclett.6b00537.

    • Details on the calculation of the intermediate scattering functions, results of the stretched exponential fits, details of the synthesis of deuterated P3HT, and a comparison between pressed and nonpressed samples (PDF)

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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2016, 7, 12, 2252–2257
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.6b00537
    Published May 19, 2016
    Copyright © 2016 American Chemical Society
    Request reuse permissions

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