Full Professor John Anthony and Assistant Professor Chad Risko have joined forces in a recent publication in the ACS journal Chemistry of Materials titled "Dynamics, Miscibility, and Morphology in Polymer:Molecule Blends: The Impact of Chemical Functionality". Based on a series of acceptors constructed from trialkylsilylethynyl-substituted pentacenes designed and synthesized in the Anthony laboratory, the study presents a computational chemistry investigation of polymer:molecule blends with the polymer donor poly(3-hexylthiophene) (P3HT). Essential connections are made between the chemical structure of the acene acceptor and the nanoscale properties of the polymer:molecule blend, which include polymer and molecular diffusivity, donor–acceptor packing and interfacial (contact) area, and miscibility. The results point to the very significant role that seemingly modest changes in chemical structure play during the formation of polymer:molecule blend morphologies, and how molecule design can be used to control critical aspects of thin-film morphology.

Citation: Chem. Mater. 2015, 27, 7643-7651. DOI: 10.1021/acs.chemmater5b02983