Exploring the Mechanism of the Electrochemical Polymerization of CO2 to hard carbon over CeO2 (110)
Florian Keller,
Johannes Döhn,
Axel Gross
et al.
Abstract:Conversion of CO2 to hard carbon is an interesting technology for the removal of carbon dioxide from the atmosphere. Recently, it was shown that CeO2 can selectively catalyse this reaction but we still lack information regarding the reaction mechanism. Using density functional theory (DFT) modelling we explore possible reaction mechanisms that allow for the polymerization of CO2. According to our computations the reaction is initialized by the adsorption of CO2 in an oxygen vacancy. Owing to the rich defect ch… Show more
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