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Adsorption and oxidation of CO on ceria nanoparticles exposing single-atom Pd and Ag: A DFT modelling

Materials (2021) 14(22)
DOI: 10.3390/ma14226888
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Abstract

Various COx species formed upon the adsorption and oxidation of CO on palladium and silver single atoms supported on a model ceria nanoparticle (NP) have been studied using density functional calculations. For both metals M, the ceria-supported MCOx moieties are found to be stabilised in the order MCO < MCO2

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Nasluzov, V. A., Ivanova-Shor, E. A., Shor, A. M., Laletina, S. S., & Neyman, K. M. (2021). Adsorption and oxidation of CO on ceria nanoparticles exposing single-atom Pd and Ag: A DFT modelling. Materials, 14(22). https://doi.org/10.3390/ma14226888

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