This presentation will focus on the following topics, of relevance to the organic electronics arena:<br/>1) We will describe our recent work on charge transport in single crystals of rubrene and rubrene derivatives. Special attention will be given to the depiction of the inter-molecular interactions, which determine whether the backbone of the rubrene derivatives are twisted or not in the solid state.<br/>2) We will discuss the impact of inclusion of exact Hartree-Fock exchange in density functionals on the bandwidths and effective masses of charge carriers in both monomolecular and bimolecular donor-acceptor single crystals.<br/>3) Finally, we will describe the peculiarities of the electronic structure of a new pi-conjugated polymer with very high hole mobilities over 20 cm2/Vs.

Electronic structure of pi-conjugated materials for organic electronics applications

249th National Meeting (2015)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.