Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria
We carried out density functional theory calculations to investigate the ripening of Pd clusters on CeO (111). Starting from stable Pd clusters ( = 1-21), we compared how these clusters can grow through Ostwald ripening and coalescence. As Pd atoms have mobility higher than that of Pd clusters on th...
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| Vydáno v: | Chemistry of materials Ročník 29; číslo 21; s. 9456 |
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| Hlavní autoři: | , , , |
| Médium: | Journal Article |
| Jazyk: | angličtina |
| Vydáno: |
United States
14.11.2017
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| ISSN: | 0897-4756 |
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| Shrnutí: | We carried out density functional theory calculations to investigate the ripening of Pd clusters on CeO
(111). Starting from stable Pd
clusters (
= 1-21), we compared how these clusters can grow through Ostwald ripening and coalescence. As Pd atoms have mobility higher than that of Pd
clusters on the CeO
(111) surface, Ostwald ripening is predicted to be the dominant sintering mechanism. Particle coalescence is possible only for clusters with less than 5 Pd atoms. These ripening mechanisms are facilitated by adsorbed CO through lowering barriers for the cluster diffusion, detachment of a Pd atom from clusters, and transformation of initial planar clusters. |
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| Bibliografie: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 0897-4756 |
| DOI: | 10.1021/acs.chemmater.7b03555 |