Investigating the interplay between charge transfer and CO2 insertion in the adsorption of a NiFe catalyst for CO2 electroreduction on a graphite support through DFT computational approaches

Investigating the interplay between charge transfer and CO2 insertion in the adsorption of a NiFe catalyst for CO2 electroreduction on a graphite support through DFT computational approaches

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 45(2024), 19 vom: 15. Juli, Seite 1690-1696
1. Verfasser: Arjunan, Subash (VerfasserIn)
Weitere Verfasser: Sims, Joshua M, Duboc, Carole, Maldivi, Pascale, Milet, Anne
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2024
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article CO2 reduction DFT NiFe catalyst graphene surface
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