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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Bibliographic Details
Published in:	Chemistry of materials Vol. 29; no. 21; p. 9456
Main Authors:	Su, Ya-Qiong, Liu, Jin-Xun, Filot, Ivo A W, Hensen, Emiel J M
Format:	Journal Article
Language:	English
Published:	United States 14.11.2017
ISSN:	0897-4756
Online Access:	Get more information
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Summary:	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.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0897-4756
DOI:	10.1021/acs.chemmater.7b03555