Toward Accurate Prediction of Ion Mobility in Organic Semiconductors by Atomistic Simulation.
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DOI: 10.1021/acs.jctc.2c01221
Abstract: A multiscale scheme (MLMS: Multi-Level Multi-Scale) to predict the ion mobility (μ) of amorphous organic semiconductors is proposed, which was successfully applied to the hole mobility predictions of 14 organic systems. An inverse relationship between… read more here.
Keywords: mobility; hole mobility; organic semiconductors; transfer coupling ... See more keywords