2026-05-22T07:37:23Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:1713 2023-03-31T09:55:30Z openaire_data community-mcarchive

Risplendi, Francesca Hernández, Simelys Fortunati, Alessia Risplendi, Francesca Re Fiorentin, Michele Cicero, Giancarlo Parisi, Emmanuele Castellino, Micaela Simone, Elena Iliev, Boyan Schubert, Thomas Russo, Nunzio Hernández, Simelys 2023-03-31 Seven imidazolium-based ionic liquids (ILs) with different anions and cations were investigated as catholytes for the CO₂ electrocatalytic reduction to CO over silver. A significant activity and stability, but different selectivities for CO₂ reduction or the side H₂ evolution were observed. Density functional theory results show that the role of the IL anions is to tune the ratio between the CO₂ captured and electrochemically converted. Acetate anions (being strong Lewis bases) are more prone to CO₂ capture, enhancing H₂ evolution, while fluorinated anions (being weaker Lewis bases) favour the CO₂ electroreduction. Differently from the hydrolytically unstable 1-butyl-3-methylimidazolium tetrafluoroborate, 1-Butyl-3-Methylimidazolium Triflate was the most promising IL showing the highest Faradaic efficiency to CO (>95%), up to 8h of stable operation at high current rates (-20mA & -60 mA). These results open the way for a strategic selection of the most suitable IL for the CO₂ electroreduction and its future process scale-up. application/zip text/plain text/markdown https://doi.org/10.24435/materialscloud:7w-zr oai:materialscloud.org:1713 mcid:2023.53 eng Materials Cloud https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:e3-tn info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode DFT free energy Experimental Quantum ESPRESSO Understanding imidazolium-based ionic liquids role in the CO₂ electroreduction reaction: experimental and theoretical study info:eu-repo/semantics/other