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Adsorption and Oxidation of CO on Ceria Nanoparticles Exposing Single-Atom Pd and Ag: A DFT Modelling
Various CO(x) 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(x) moieties are found to be stabilised in the ord...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8618484/ https://www.ncbi.nlm.nih.gov/pubmed/34832290 http://dx.doi.org/10.3390/ma14226888 |