Computational study of diketopyrrolopyrrole-based organic dyes for dye sensitized solar cell applications
We studied four organic dyes incorporating DPPs moieties. Electron-deficient DPPs show great effect on spectra and electrochemical properties. Newly designed DPP-I show desirable energetic and spectroscopic parameters. We provide theoretical guidance for design of DPP dyes for DSSC optimizations.
dsscs dft calculations dpp-based dyes indoline donor molecular design