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Structural origin of gap states in semicrystalline polymers and the implications for charge transport
Open accessAbstract
We quantify the degree of paracrystalline disorder in the \ensuremath{\pi}-\ensuremath{\pi} stacking direction of crystallites of a high performing semicrystalline semiconducting polymer with advanced x-ray line-shape analysis. Using density functional theory calculations to provide input to a simple tight-binding model, we obtain the density of states of a system of \ensuremath{\pi}-\ensuremath{\pi} stacked polymer chains with increasing amounts of paracrystalline disorder. We find that, for an aligned film of PBTTT, the paracrystalline disorder is 7.3%. This type of disorder induces a tail of trap states with a breadth of \ensuremath{\sim}100 meV as determined through calculation. This finding agrees with previous device modeling and provides physical justification for the mobility edge model.
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Cited by
Approaching disorder-free transport in high-mobility conjugated polymers
Venkateshvaran, D., Nikolka, M., Sadhanala, A., Lemaur, V., Zelazny, M., Kepa, M., Hurhangee, M., Kronemeijer, A. J., Pecunia, V., Nasrallah, I., et al. (2014) · Nature · doi:10.1038/nature13854 · Cited by 1,050
Charge transport in high-mobility conjugated polymers and molecular semiconductors
Fratini, S., Nikolka, M., Salleo, A., Schweicher, G., & Sirringhaus, H. (2020) · Nature Materials · doi:10.1038/s41563-020-0647-2 · Cited by 895
Self-citationYiu, A. T., Beaujuge, P. M., Lee, O. P., Woo, C. H., Toney, M. F., & Fréchet, J. M. J. (2012) · Journal of the American Chemical Society · doi:10.1021/ja2089662 · Cited by 491
Self-citationSteyrleuthner, R., Schubert, M., Howard, I., Klaumünzer, B., Schilling, K., Chen, Z., Saalfrank, P., Laquai, F., Facchetti, A., & Neher, D. (2012) · Journal of the American Chemical Society · doi:10.1021/ja306844f · Cited by 458
Koch, F. P. V., Rivnay, J., Foster, S., Müller, C., Downing, J. M., Buchaca-Domingo, E., Westacott, P., Yu, L., Yuan, M., Baklar, M., et al. (2013) · Progress in Polymer Science · doi:10.1016/j.progpolymsci.2013.07.009 · Cited by 337
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Metadata
- Authors
- Rivnay, J., Noriega, R., Northrup, J. E., Kline, R. J., Toney, M. F., & Salleo, A.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2011-03-16
- Volume
- 83
- Issue
- 12
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2004413987
- Cited by
- 195
- References
- 0
- FWCI
- 14.26
- Type
- journal article
- Language
- en
- Open access
- green
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- Rivnay, J., Noriega, R., Northrup, J. E., Kline, R. J., Toney, M. F., & Salleo, A. (2011). Structural origin of gap states in semicrystalline polymers and the implications for charge transport. Physical Review B. https://doi.org/10.1103/physrevb.83.121306
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