Physical Sciences and Mathematics Commons^™

Fullerenes In Solar Energy Cells, Fletcher G. Griffitts

Undergraduate Honors Theses

This project involves controlling and characterizing the morphology of the active layer in a special type of organic photovoltaics (OPVs), consisting of porphyrin-fullerene composites, with emphasis on electron exchange interactions between the two components. The Vienna Ab Initio Simulation Package (VASP) is applied to model a variety of donor-acceptor complexes containing fullerene and porphyrin in terms of their stabilities as well as their geometric, electronic, and charge transfer features. The goal is to identify supramolecular chain structures with highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs) that may serve as electron (hole) transfer channels in a photovoltaic …