Computational, Investigational Explorations on Structural, Electro-Optic Behavior of Pelargonidin Organic Colorant for TiO2 Based DSSCs

In an expedition for green-energy generation and to lower the cost per watt of solar energy, environmentally friendly biotic colorants were separated from Tectona grandis seeds. The prime colorant in extract is pelargonidin which sensitizes titanium dioxide (TiO2)-based photo anodes. pelargonidin-sensitized TiO2 nanomaterials endured structural, photosensitive, spectral current-voltage interpretations. Frontier molecular orbital analysis, physicochemical electronic parameter computation, UV–visible DOS van der Waals prediction electrostatic potential map performed theoretically with Gaussian tools, IR symmetry response was computed using crystal maker software package. TiO2-created dye-sensitized cells exhibited capable light energy photon conversion proficiency. For comparative purposes, commercial P25 Degussa TiO2-based DSSC also fabricated its proficiency analyzed. 57 % higher comparison sol-gel-derived DSSC.