Theoretical Study of Gallium Phthalocyanine Dimer-Fullerene Complex for Photovoltaic Device

摘要

Geometry and electronic structures of gallium phthalocyanine dimer and fullerene molecules were investigated by theoretical calculation. The highest occupied molecular orbital was localized on the donor site, and the lowest unoccupied molecular orbital were localized on accepter site. The present results indicate that high conversion efficiency would be expected when phthalocyanine dimers were used as solar cell materials.