Oligo- and poly(fullerene)s for photovoltaic applications: Modeled electronic behaviors and synthesis
Hugo Santos Silva, Hasina H. Ramanitra, Bruna A. Bregadiolli, Didier Bégué, Carlos F. O. Graeff, Christine Dagron-Lartigau, Heiko Peisert, Thomas Chassé and Roger C. Hiorns
Version of Record online: 3 FEB 2017 | DOI: 10.1002/pola.28502
Poly(fullerene)s formed using the atom transfer radical addition polymerization (ATRAP) are explored with quantum chemistry to map their expected electronic behavior with respect to common electron acceptors. Surprisingly, PFs should demonstrate electron affinities and LUMO energy levels close to bis-derivatives, even though only one C60 double-bond is used in PF chain formation. A self-consistent library of PFs is synthesized and correlations between comonomers and structural characteristics are found.