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bithiazole-based-organic-dyes
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Molecular engineering of bithiazole-based organic dyes with different electron-rich linkers toward highly efficient dye-sensitized solar cells
, Article Journal of Photochemistry and Photobiology A: Chemistry ; Volume 349 , 2017 , Pages 171-182 ; 10106030 (ISSN) ; Hadipour, N. L ; Parsafar, G ; Sharif University of Technology
Abstract
A series of bithiazole-based dye sensitizers have been designed by employing various electron-rich moieties as π-spacer, which are based on the reported experimentally synthesized dye T-BT, to shed a light on the impact of both the nature and position of electron-rich moiety on the efficiency of dyes in DSSCs. To evaluate the efficiency of these dyes, various key parameters associated with overall conversion efficiency (η), including electronic and optical properties of free dyes are calculated, based on the computational methods. Besides, the dye/TiO2 structures have been taken into account to investigate the interfacial features of the dye sensitizers adsorbed on TiO2 semiconductor and...
A computational investigation on the influence of different π spacer groups in the bithiazole-based organic dye sensitizers on the short-circuit photocurrent densities of dye-sensitized solar cells
, Article Journal of Photochemistry and Photobiology A: Chemistry ; Volume 333 , 2017 , Pages 70-78 ; 10106030 (ISSN) ; Hadipour, N. L ; Parsafar, G ; Sharif University of Technology
Elsevier B.V
2017
Abstract
A series of experimentally synthesized metal free organic dyes based on the 2-Cyano-3-(5-(5'-(4-(diphenylamino)phenyl)-4,4'-dihexyl-2,2'-bithiazol-5-yl)thiophen-2-yl)acrylic acid (dye 1) were investigated, based on computational methods to shed light on how a tiny difference in π-linker of sensitizer, C[tbnd]C and thiophene moiety as the additional π spacer group in dyes 2 and 3 respectively, has a significant impact on the short-circuit photocurrent densities (JSC) in Dye-sensitized solar cells (DSSCs). Although dyes 2 and 3 have similar redshifts in comparison to dye 1 in the UV–vis absorption spectra, there is a significant difference between JSC values of these dyes resulting in...