March 15, 2013

Two new fullerene-related publications now available online!

The group’s productive start to the new year continues: two new publications have now been accepted! Feizhi Ding was part of a collaborative work with Alex K.-Y. Jen’s group at the University of Washington that resulted in a publication titled “Solution-Processible Highly Conducting Fullerenes” in Advanced Materials. Feizhi provided DFT calculations to probe detailed information about the electron transfer pathways in fulleropyrrolidinium ions (FPI), which were synthesized and characterized by the Jen group. The paper is now available online.

Craig Chapman’s first paper as corresponding author, titled “Solvent Effects on Intramolecular Charge Transfer Dynamics in a Fullerene Derivative,” was just accepted in the Journal of Physical Chemistry A. This paper uses the methods of real-time time-dependent density functional theory developed by the group to investigate the exciton dynamics in the C60 derivative, C60:DMA (DMA = dimethylanaline), including the solvent effects in the real-time time-dependent polarizable continuum model. The article is now available online.