AI Article Synopsis
- Periodic density functional theory is used to study the energy pathways of CO oxidation on platinum and palladium nanoclusters supported by cerium oxide (Pt/CeO and Pd/CeO).
- For Pt/CeO, the reaction involves lattice oxygen from cerium oxide at the cluster interface, resulting in a low energy barrier for oxidation.
- In contrast, Pd/CeO relies on oxygen bound to the palladium cluster, which leads to a lower CO oxidation temperature as experimental results indicate, supporting the theory of reduced energy barriers due to higher oxygen coverage on the Pd cluster.
Article Abstract
Periodic density functional theory is used to evaluate the minimum energy pathways of CO oxidation on cerium oxide-supported platinum and palladium nanoclusters (Pt/CeO and Pd/CeO). For Pt/CeO, the oxidation process involves the participation of lattice oxygen from CeO at the boundary sites of the cluster-ceria interface, which exhibits an exceptionally low energy barrier. Conversely, on Pd/CeO, oxidation predominantly occurs through oxygen species bound to the Pd cluster. Experimental analysis using the temperature-programmed reduction of the oxidized Pd/CeO catalyst reveals a lower CO oxidation temperature compared to Pt/CeO. This observation aligns with the anticipated decrease in the energy barrier for CO oxidation due to the oxygen coverage of the Pd cluster.
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| http://dx.doi.org/10.1021/acsami.3c09468 | DOI Listing |
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