Adsorption and Oxidation of CO on Ceria Nanoparticles Exposing Single-Atom Pd and Ag: A DFT Modelling

Various CO<sub>x</sub> 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 MCO<sub>x</sub> moie...

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Autores principales:	Vladimir A. Nasluzov, Elena A. Ivanova-Shor, Aleksey M. Shor, Svetlana S. Laletina, Konstantin M. Neyman
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	CeO<sub>2</sub>-based nanomaterials density functional calculations single-atom catalysts structure reactivity Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
Acceso en línea:	https://doaj.org/article/fa9ff7b775fe4054bfc70192e9fdee46
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Adsorption and Oxidation of CO on Ceria Nanoparticles Exposing Single-Atom Pd and Ag: A DFT Modelling

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