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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Lorenzoni, Andrea; Muccini, Michele; Mercuri, Francesco;
(2017)

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. Calcula... View more
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