We will describe some of the recent progress made in the theoretical description of the intrinsic charge-transport properties of organic ?-conjugated polymers and molecular crystals. Special attention will be given to the interplay between electronic couplings and electron-vibration couplings.We will consider three classes of semiconductors of interest in the field of organic electronics: (i) conjugated polymers; (ii) crystals consisting of a single molecular building block, such as oligoacenes and their derivatives; and (iii) bimolecular crystals consisting of donor and acceptor compounds.

Charge transport in ?-conjugated materials: A theoretical description

248th National Meeting (2014)

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