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A combined experimental and theoretical study of natural betalain pigments used in dye-sensitized solar cells

Paper ID Volume ID Publish Year Pages File Format Full-Text
27062 43998 2012 9 PDF Available
Title
A combined experimental and theoretical study of natural betalain pigments used in dye-sensitized solar cells
Abstract

We report results of combined experimental and theoretical studies of betalain natural dyes used as sensitizers for TiO2 dye-sensitized solar cells (DSSCs). To analyze the compliance of the various forms of betalain dyes with the main criteria that should be met by a dye to be used as TiO2 sensitizer in a DSSCs, we performed density functional theory (DFT) calculations, which provided the optimized geometry, electronic structure and electronic spectrum of the dyes in fully protonated as well as partially deprotonated forms, in solution. We discuss the adsorption onto the substrate, the matching of the absorption spectrum of the dye with the solar spectrum, the energy level alignment with the semiconductor and the electrolyte, and the charge transfer to the substrate. By comparing the theoretical results with the experimental data we identify the betacyanins as the useful constituents of the betalain extracts and emphasize the role of extract purification.

► We study betalains as TiO2 sensitizers in dye-sensitized solar cells. ► All betalains favour adsorption to substrate through the same COO group. ► Betacyanins are better sensitizers than betaxanthines due to spectral matching. ► Betacyanins are better sensitizers than betaxanthines due to energy level alignment. ► Removal of betaxanthines increases short-circuit current and device efficiency.

Keywords
Dye-sensitized solar cells; Betalains; Nanocrystalline TiO2; Photovoltaic conversion efficiency; Time-dependent density functional theory; Optical spectra
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A combined experimental and theoretical study of natural betalain pigments used in dye-sensitized solar cells
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 240, 15 July 2012, Pages 5–13
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us