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Mechanistic insight into electrocatalytic glyoxal reduction on copper and its relation to CO2 reduction.
Reichert, Andreas M; Piqué, Oriol; Parada, Walter A; Katsounaros, Ioannis; Calle-Vallejo, Federico.
Afiliação
  • Reichert AM; Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich GmbH Cauerstr. 1 91058 Erlangen Germany i.katsounaros@fz-juelich.de.
  • Piqué O; Department of Materials Science and Chemical Physics & Institute of Theoretical and Computational Chemistry (IQTC), University of Barcelona Martí i Franquès 1 08028 Barcelona Spain.
  • Parada WA; Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich GmbH Cauerstr. 1 91058 Erlangen Germany i.katsounaros@fz-juelich.de.
  • Katsounaros I; Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich GmbH Cauerstr. 1 91058 Erlangen Germany i.katsounaros@fz-juelich.de.
  • Calle-Vallejo F; Nano-Bio Spectroscopy Group and European Theoretical Spectroscopy Facility (ETSF), Department of Polymers and Advanced Materials: Physics, Chemistry and Technology, University of the Basque Country UPV/EHU Avenida Tolosa 72, 20018 San Sebastián Spain federico.calle@ehu.es.
Chem Sci ; 13(37): 11205-11214, 2022 Sep 28.
Article em En | MEDLINE | ID: mdl-36320464
ABSTRACT
Copper electrodes produce several industrially relevant chemicals and fuels during the electrochemical CO2 reduction reaction (CO2RR). Knowledge about the reaction pathways can help tune the reaction selectivity toward higher-value products. To probe the uncertain role of the C2 molecule glyoxal, we electrochemically reduced it on polycrystalline Cu and quantified its liquid-phase products, namely, ethanol, ethylene glycol, and acetaldehyde. The gas phase contained hydrogen and traces of ethylene. In contrast with previous hypothesis, a one-to-one comparison with CO2RR on Cu indicates that glyoxal is neither a major intermediate in the pathway toward ethylene nor in the pathway toward ethanol. In addition, great possibilities for the selective, low-temperature production of ethylene glycol are open, as computational modelling shows that ethylene glycol and ethanol are produced on different active sites. Thus, apart from the mechanistic insight into CO2RR, this study gives new directions to facilitate the electrification of chemical processes at refineries.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chem Sci Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chem Sci Ano de publicação: 2022 Tipo de documento: Article