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A Systematic Approach to Solvent Selection Based on Cohesive Energy Densities in a Molecular Bulk Heterojunction System

Authors

  • Bright Walker,

    1. Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106, USA
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  • Arnold Tamayo,

    1. Department of Chemistry and Geochemistry, Colorado School of Mines, 1500 Illinois Street, Golden, CO, 80401, USA
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  • Duc T. Duong,

    1. Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106, USA
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  • Xuan-Dung Dang,

    1. Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106, USA
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  • Chunki Kim,

    1. Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106, USA
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  • Jimmy Granstrom,

    1. Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106, USA
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  • Thuc-Quyen Nguyen

    Corresponding author
    1. Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106, USA
    • Center for Polymers and Organic Solids, Department of Chemistry and Biochemistry, University of California at Santa Barbara, Santa Barbara, CA, 93106, USA.
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Abstract

The solubilities of 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione (DPP(TBFu)2) and [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) in a series of solvents are measured, and this data is used to calculate the Hansen solubility parameters of the two materials. The dispersion, polar, and H-bonding parameters of DPP(TBFu)2 and PC71BM were found to be (19.3, 4.8, 6.3) and (20.2, 5.4, 4.5) MPa1/2, respectively, with an error of ± 0.8 MPa1/2. Based on the solubility properties of the two materials, three new solvents (thiophene, trichloroethylene and carbon disulfide) were utilized for the DPP(TBFu)2:PC71BM system which, after device optimization, led to power conversion efficiencies up to 4.3%.

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