Phenothiazine based organic dyes for dye sensitized solar cells: A theoretical study on the role of π-spacer. (June 2021)

• Record Type: Journal Article
• Authors: Ouared, Ihssène; Rekis, Mâammar; Trari, Mohamed
• Is Part Of: Dyes and pigments. Volume 190(2021)
• Publication Date: 2021-06
• Subjects: Phenothiazine donor -- Dye sensitized solar cells -- Metal free organic dyes -- Photovoltaic parameters; Dyes and dyeing -- Periodicals; Pigments -- Periodicals; 667.2
• DOI: 10.1016/j.dyepig.2021.109330
• Languages: English
• ISSNs: 0143-7208

Abstract

Abstract: In this contribution, six new organic dyes were investigated by the density functional theory (DFT). The electron-donor unit is a phenothiazine fragment substituted by an ethynyl-pyrene unit while the electron acceptor group is the cyanoacrylic acid for all sensitizers; the π-linker was changed and its effect investigated. The dye baring dioxythiophene linker has the highest absorption maxima. The theoretical photovoltaic properties indicated that the over-all yield of the solar cell could be remarkably improved with the designed dyes. The results showed that all the studied organic dyes are potential candidates as photosensitizers for dye sensitized solar cells (DSSCs). Highlights: Phenothiazine-based dyes were theoretically investigated to highlight structural modification influence. Adding different linkers could enhance the ICT character of the dyes due to a significant decrease in the energy gap. Elongation in π-conjugation of phenothiazine metal free organic sensitizers enhances the absorption properties. Extension in π bridge of phenothiazine-based dyes is favorable to improve the photovoltaic performances of solar cells.