Computational Study of Curcumin and Its Analogues for Dye-Sensitized Solar Cell Application

Abstract

Computational study of curcumin and its analogues for dye-sensitized application has been done by using Density Functional Theory (DFT) with B3LYP method at 6-31G (d) basis set. Computational shows that the structures of curcumin and its analogues are symmetrical. Analogues of curcumin are more stable than curcumin. Analogue A2 is potential to apply as active material on organic solar cell because it has small band gap ( 0.126 eV). Analysis of orbital populations showed that there is charge transfer from phenyl ring to middle chain (ketone).