Theoretical Design and Screening of Porphyrin, Phthalocyanine and Bipyridyl Rutheniunm Complex Sensitizers for Dye-sensitized Solar Cells

Series of porphyrin, phthalocyanine and bipyridyl ruthenium complex sensitizers are designed and screened for dye-sensitized solar cells using density functional calculations. Some promising candidates with good photon-to-current conversion performances are proposed.