Modeling of Dye-Sensitized Solar Cells Based on TiO₂ Electrode Structure Model

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Our newly developed our original multi-scale simulator was applied to dye-sensitized solar cells (DSSC) to investigate the effect of the complex porous structure of a TiO 2 electrode on cell performance. We simulated the current–voltage ( I – V ) characteristics for various models of porous structures of DSSCs including cis -di(thiocyanato)-bis(2,2'-bipyridyl-4,4'-dicarboxylic acid)-ruthenium(II) (N3 dye). The short-circuit current density increased with decreasing porosity, overlap ratio, and particle diameter. A DSSC system including TA–St–CA (C 30 H 22 N 2 O 2 ) as a sensitizer was also investigated for comparison with the system with N3 dye. The dependence of the amount of dye adsorption on the I – V characteristics was evaluated. A linear relation between the short-circuit current density and the amount of dye adsorption was found. The obtained results indicate that our developed multi-scale simulator is a powerful tool for obtaining insights into the effect of properties in DSSCs and for optimizing the DSSC structure.