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A morphology-based method for an estimation of TOF mobility values in prototypic conjugated polymer PEDOT/PSS complex has been developed. The performed research demonstrates that the DDFT-based PEDOT density fields present the real morphology of the complex under study. The developed method enables to estimate the charge carrier mobility values in the PEDOT/PSS complex in the range of PSS/PEDOT mass ratios 1.4-20.0 reflecting anisotropy, PEDOT concentration and ordering effects.

On the Charge Carrier Time-of-Flight Mobility and the Ordering Effects in the Microcrystalline PEDOT/PSS Complex: a Morphology-Based Simulation Study