We present a theoretical study of charge transport in disordered semiconducting polymers that relates the charge mobility to the chemical structure and the physical morphology in a novel multiscale approach. Our studies, focusing on poly(9,9-dioctylfluorene) (PFO), show that the charge mobility is dominated by pathways with the highest interchain charge-transfer rates. We also find that disorder is not always detrimental to charge transport. We find good agreement with experimental time-of-flight mobility data in highly aligned PFO films.
- hole transport
- poly(p-phenylene vinylene)
Athanasopoulos, S., Kirkpatrick, J., Martinez, D., Frost, J. M., Foden, C. M., Walker, A. B., & Nelson, J. (2007). Predictive study of charge transport in disordered semiconducting polymers. Nano Letters, 7(6), 1785-1788. https://doi.org/10.1021/Nl0708718