Morphology and Electronic Properties of N,N′-Ditridecylperylene-3,4,9,10-tetracarboxylic Diimide Layered Aggregates: From Structural Predictions to Charge Transport
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DOI: 10.1021/acs.jpcc.7b05365
Abstract: The morphology of layered aggregates of N,N′-ditridecylperylene-3,4,9,10-tetracarboxylic diimide (PTCDI-C13), a prototypical n-type semiconductor for organic electronic devices, was investigated by molecular dynamics and corroborated by metadynamics simulations. Calculations were targeted to ordered 3D aggregates, differing… read more here.
Keywords: tetracarboxylic diimide; layered aggregates; charge transport; morphology ... See more keywords