Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands

<table>Selected frontier molecular orbitals of the complexes <b>1</b> (a), <b>4 </b>(b), and <b>6</b> (c) calculated at the B3LYP/6-31G* level in MeCN solution. Isodensity contour: 0.02.</table>

International Journal of Photoenergy

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Figure 4

Figure 4: Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands 

Figure 4 | Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands 