Research Article

Organic Dyes Containing Coplanar Dihexyl-Substituted Dithienosilole Groups for Efficient Dye-Sensitised Solar Cells

Table 6

Details of the most important transition (=λmaxTh.) for the dye-titania complex. The calculations were done within the CAM-B3LYP approximation. Abbreviations and the use of bold font are as that of Table 5.

SystemT.E. (eV) (O.S.)Involved orbitals (Coeff.)

CL1-TiO22.7H-1 → L (0.38)
(1.77)H → L (0.55)