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RESEARCH ARTICLE
Contents Vol 72(4)

Theoretical Study of Phenothiazine Organic Dyes with Different Spacers for Dye-Sensitised Solar Cells

Ihssène Ouared A C , Mâammar Rekhis A and Mohamed Trari B
+ Author Affiliations
- Author Affiliations

A Theoretical Chemistry and Computational Photonics Laboratory, Faculty of Chemistry, University of Science and Technology Houari Boumediene (USTHB), BP 32 El Alia, 16111 Algiers, Algeria.

B Storage and Utilization of Renewable Energy Laboratory, Faculty of Chemistry, Houari Boumediene Sciences and Technology University, BP 32 El Alia, 16111 Algiers, Algeria.

C Corresponding author. Email: ihssen_ouared@hotmail.fr

Australian Journal of Chemistry 72(4) 244-251 https://doi.org/10.1071/CH18449
Submitted: 8 September 2018  Accepted: 24 November 2018   Published: 3 January 2019

Abstract

In this paper, six organic dyes have been studied by density functional theory (DFT). The electron-acceptor group is the cyanoacrylic acid unit for all sensitisers, and the electron-donor unit is a phenothiazine (PTZ) fragment substituted by an ethynyl-pyrene unit; the π-linker was varied, and the influence was investigated. The dye bearing the divinylthiophene linker showed the highest absorption maximum. The theoretical photovoltaic properties revealed that the overall efficiency of the solar cell could be remarkably improved using the designed dyes. The results indicated that all of the studied organic dyes are good candidates as photosensitisers for dye-sensitised solar cells (DSSCs).


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