Alessia Fortunati¹, Francesca Risplendi^1*, Michele Re Fiorentin¹, Giancarlo Cicero¹, Emmanuele Parisi¹, Micaela Castellino¹, Elena Simone¹, Boyan Iliev², Thomas Schubert², Nunzio Russo¹, Simelys Hernández^1*

1 Department of Applied Science and Technology, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129, Turin, Italy

2 Iolitec Ionic Liquids Technologies GmbH, Im Zukunftspark 9, 74076 Heilbronn, Germany

* Corresponding authors emails: francesca.risplendi@polito.it, simelys.hernandez@polito.it

DOI10.24435/materialscloud:7w-zr [version v1]

Publication date: Mar 31, 2023

How to cite this record

Alessia Fortunati, Francesca Risplendi, Michele Re Fiorentin, Giancarlo Cicero, Emmanuele Parisi, Micaela Castellino, Elena Simone, Boyan Iliev, Thomas Schubert, Nunzio Russo, Simelys Hernández, Understanding imidazolium-based ionic liquids role in the CO₂ electroreduction reaction: experimental and theoretical study, Materials Cloud Archive 2023.53 (2023), https://doi.org/10.24435/materialscloud:7w-zr

Description

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.

Materials Cloud sections using this data

Files

File name	Size	Description
Ag_IL_dataset.zip MD5md5:0db3de9e23f11e53ec5af6295e375e09	891.1 KiB	Quantum ESPRESSO input files. For detailed description please refer to the README file.
README.txt MD5md5:266539dee857861f799bbdd9314531dd	965 Bytes	Content description

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External references

Keywords

DFT free energy Experimental Quantum ESPRESSO