Screening of solvents for perovskite solar cells using reverse engineering approach

Perovskite solar cells are a promising technology in the field of photovoltaics but the use of dimethylformamide, a highly toxic solvent, to solubilize all type of precursors, still limits their production to larger solar modules. The search of alternative solvents relies primarily on trial-and-erro...

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Bibliographic Details
Published inComputer Aided Chemical Engineering Vol. 53; pp. 2305 - 2310
Main Authors Cardenas, Luis Eduardo Ramirez, Ouaret, Rachid, Schwersenz, Lea, Gerbaud, Vincent, Kohlstädt, Markus, Thiebaud-Roux, Sophie, Donis, Ivonne Rodríguez
Format Book Chapter
LanguageEnglish
Published 01.01.2024
Subjects
COSMO-RS
Perovskite solar cells
Reverse engineering
Reverse engineering
Perovskite solar cells
COSMO-RS
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Summary:Perovskite solar cells are a promising technology in the field of photovoltaics but the use of dimethylformamide, a highly toxic solvent, to solubilize all type of precursors, still limits their production to larger solar modules. The search of alternative solvents relies primarily on trial-and-error approaches due to the complex relationship between solvent and device performance. In this work we propose a Computer-Aided Molecular Design reverse engineering to find substitutes for dimethylformamide using COSMO-RS. Solubility experiments of the best candidates suggest an effect from steric hindrance of the solvent molecule and the degree of polarization around the molecule.
ISBN:9780443288241
0443288240
ISSN:1570-7946
DOI:10.1016/B978-0-443-28824-1.50385-9