Steps Control the Dissociation of CO2 on Cu(100)
Journal of the American Chemical Society2018Vol. 140(40), pp. 12974–12979
Citations Over TimeTop 11% of 2018 papers
Benjamin Hagman, Alvaro Posada-Borbón, Andreas Schaefer, Mikhail Shipilin, Chu Zhang, Lindsay R. Merte, Anders Hellman, Edvin Lundgren, Henrik Grönbeck, Johan Gustafson
Abstract
CO2 reduction reactions, which provide one route to limit the emission of this greenhouse gas, are commonly performed over Cu-based catalysts. Here, we use ambient pressure X-ray photoelectron spectroscopy together with density functional theory to obtain an atomistic understanding of the dissociative adsorption of CO2 on Cu(100). We find that the process is dominated by the presence of steps, which promote both a lowering of the dissociation barrier and an efficient separation between adsorbed O and CO, reducing the probability for recombination. The identification of steps as sites for efficient CO2 dissociation provides an understanding that can be used in the design of future CO2 reduction catalysts.
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