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Experimental and theoretical study of organic sensitizers for solid-state dye-sensitized solar cells (s-DSSCs)

Abstract : The effect of a series of triarylamine based D-π-A organic dyes, namely RK1, BA504, BA741 and the simple L1 reference dye on solid-state dye sensitized solar cells (s-DSSCs) performances was studied. The solid hole transporting material (HTM) was obtained by in-situ photoelectrochemical polymerization (in-situ PEP) process applied in two different media (water and acetonitrile) to produce the poly-3,4 ethylenedioxythiophene (PEDOT) conducting polymer (CP). A joint experimental and theoretical (density functional theory and time-dependent density functional theory) study is conducted to correlate the dye molecular structure containing different donor, π-bridge or acceptor with several physicochemical characteristics such as optical (absorption and emission), electronic and redox properties of dyes in organic and aqueous medium; in-situ PEP process and charge transfer kinetics at the DSSC interfaces (Dye/TiO2 and Dye/HTM) through the alignment of the different energy levels of the dyes and electrodes. These properties are considered since they govern the performance of s-DSSCs denoted by the short-circuit current (Jsc), open circuit cell potential (Voc) and fill factor (FF). Among the four studied dyes, the s-DSSCs based on RK1, shows the best power conversion efficiency of 1.75% resulting from highest FF (0.57), Voc (550 mV) and Jsc (5.6 mA/cm2). The large differences in experimental photovoltaic performances of the obtained s-DSSCs have been well outlined and provide the guidelines for future development of more efficient solar-cell sensitizers.
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Submitted on : Thursday, May 12, 2022 - 5:35:50 PM
Last modification on : Saturday, May 14, 2022 - 3:12:24 AM

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Annette Delices, Jinbao Zhang, Marie-Pierre Santoni, Chang-Zhi Dong, François Maurel, et al.. Experimental and theoretical study of organic sensitizers for solid-state dye-sensitized solar cells (s-DSSCs). Journal of Photochemistry and Photobiology A: Chemistry, Elsevier, 2022, 428, pp.113890. ⟨10.1016/j.jphotochem.2022.113890⟩. ⟨hal-03666855⟩

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