Quantitative relations between interaction parameter, miscibility and function in organic solar cells. Ye, L., Hu, H., Ghasemi, M., Wang, T., Collins, B. A., Kim, J., Jiang, K., Carpenter, J. H., Li, H., Li, Z., McAfee, T., Zhao, J., Chen, X., Lai, J. L. Y., Ma, T., Bredas, J., Yan, H., & Ade, H. Nature Materials, 2018.
Quantitative relations between interaction parameter, miscibility and function in organic solar cells [link]Paper  doi  abstract   bibtex   
Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction–function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous–amorphous interaction parameter, χaa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative ‘constant-kink-saturation’ relation between χaa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χaa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general.
@article{ye2018quantitative,
  abstract = {Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction–function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous–amorphous interaction parameter, χaa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative ‘constant-kink-saturation’ relation between χaa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χaa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general.},
  added-at = {2018-02-12T14:40:54.000+0100},
  author = {Ye, Long and Hu, Huawei and Ghasemi, Masoud and Wang, Tonghui and Collins, Brian A. and Kim, Joo-Hyun and Jiang, Kui and Carpenter, Joshua H. and Li, Hong and Li, Zhengke and McAfee, Terry and Zhao, Jingbo and Chen, Xiankai and Lai, Joshua Lin Yuk and Ma, Tingxuan and Bredas, Jean-Luc and Yan, He and Ade, Harald},
  biburl = {https://www.bibsonomy.org/bibtex/250582a179681077a85ae22ca5f4b01cb/deibel},
  description = {Quantitative relations between interaction parameter, miscibility and function in organic solar cells | Nature Materials},
  doi = {10.1038/s41563-017-0005-1},
  interhash = {41fec0864f7620ed2c7e9fc9e4ab57cf},
  intrahash = {50582a179681077a85ae22ca5f4b01cb},
  issn = {14764660},
  journal = {Nature Materials},
  keywords = {miscibility morphology property-function solar-cell semiconductors organic},
  refid = {Ye2018},
  timestamp = {2018-02-12T14:40:54.000+0100},
  title = {Quantitative relations between interaction parameter, miscibility and function in organic solar cells},
  url = {https://doi.org/10.1038/s41563-017-0005-1},
  year = 2018
}
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