THEORETICAL STUDIES ON PHOTOINDUCED CHARGE SEPARATION OF DYE-SENSITIZED SOLAR CELLS

摘要

Adsorption geometry, nuclear vibrations, and molecular orientation of the dye with respect to the oxide surface affect significantly the performance of dye-sensitized solar cells. We compute the influence of these factors on injection and recombination conditions in TCNX and organic amino-phenyl acid dyes differing by the donor group on the anatase (101) TiO2 surface.