Organic additive for the selective C2-product formation on Cu(100): a density functional theory mechanistic study

Electrochemical CO2 reduction is a promising approach to increase the chemical feedstock of energetically valuable products, especially ethylene and ethanol. In this regard, Cu catalysts are promising, but they suffer from poor intermediate adsorption. Polymer/organic additives can be utilized to tu...

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Veröffentlicht in:	Catalysis science & technology 2023-09, Vol.13 (18), p.5365-5373
Hauptverfasser:	Das, Amitabha, Mandal, Shyama Charan, Pathak, Biswarup
Format:	Artikel
Sprache:	eng
Schlagworte:	Activation energy Additives Carbon dioxide Carbonyls Catalysts Catalytic activity Catalytic converters Density functional theory Ethanol Free energy Hydrogen bonding Reaction mechanisms Ureas
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