4.7 Article

The use of 1-ethyl-3-methylimidazolium iodide ionic liquid in dye sensitized solar cells: A joint experimental and computational perspective


Volume 364, Issue -, Pages -


DOI: 10.1016/j.molliq.2022.119982




  1. Shiraz University

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The study investigated the effects of electrolyte solutions containing acetonitrile solvent and various salts on the performance of dye-sensitized solar cells (DSSCs). Experimental results showed that the DSSC exhibited high performance when a mixture of potassium iodide (KI) and 1-ethyl-3-methylimidazolium iodide ionic liquid (Emim-I) was used. Additionally, molecular dynamics simulations were conducted to study the interface of solid/liquid electrolytes, revealing the significant influence of cations on the density distribution of anions at the interface.
The photovoltaic performance of dye-sensitized solar cells (DSSCs) significantly depends on the components of electrolyte solution. In this study, the electrolytes involving acetonitrile (ACN) solvent and various salts namely potassium iodide (KI), 1-ethyl-3-methylimidazolium iodide ionic liquid ([C(2)mim] I similar to Emim-I IL), sodium thiocyanate (NaSCN), and ammonium thiocyanate (NH4SCN) were fabricated and their effects on the DSSC performance were explored. Among the different inorganic (KI) and organic (Emim-I) iodide sources, the DSSC showed high performance when KI and Emim-I mixed. In the meantime, without KI, by increasing Emim-I concentration from 0.3 M to 1.2 M, the best efficiency of DSSC was obtained for 0.9 M concentration. The results indicated that the best performance of the cells can be obtained when Emim-I and NH 4 SCN were added to the 0.6 M of KI solution. Power conversion efficiency as high as 11.07 % was obtained under the best operation conditions. Beside experiments, the interface of solid/liquid electrolyte was also studied as a key element of DSSCs by using molecular dynamics simulations. The influence of cations such as K+, and 1-ethyl-3-methylimidazolium (Emim(+)), Na+, and NH4+ on the double-layer structure in ACN-based electrolytes at the anatase TiO2 (101) and platinum surfaces was studied. Particularly, a strong impact of cations on the I and SCN anions density distribution at the interface was found. (C) 2022 Published by Elsevier B.V.


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