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

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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Bibliographic Details
Main Authors: Vladimir A. Nasluzov, Elena A. Ivanova-Shor, Aleksey M. Shor, Svetlana S. Laletina, Konstantin M. Neyman
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Materials
Subjects:
CeO<sub>2</sub>-based nanomaterials
density functional calculations
single-atom catalysts
structure
reactivity
Online Access:https://www.mdpi.com/1996-1944/14/22/6888

Internet

https://www.mdpi.com/1996-1944/14/22/6888

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