Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria

[Image: see text] We carried out density functional theory calculations to investigate the ripening of Pd clusters on CeO(2)(111). Starting from stable Pd(n) clusters (n = 1–21), we compared how these clusters can grow through Ostwald ripening and coalescence. As Pd atoms have mobility higher than t...

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Autores principales: Su, Ya-Qiong, Liu, Jin-Xun, Filot, Ivo A. W., Hensen, Emiel J. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5695895/
https://www.ncbi.nlm.nih.gov/pubmed/29170602
http://dx.doi.org/10.1021/acs.chemmater.7b03555
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author Su, Ya-Qiong
Liu, Jin-Xun
Filot, Ivo A. W.
Hensen, Emiel J. M.
author_facet Su, Ya-Qiong
Liu, Jin-Xun
Filot, Ivo A. W.
Hensen, Emiel J. M.
author_sort Su, Ya-Qiong
collection PubMed
description [Image: see text] We carried out density functional theory calculations to investigate the ripening of Pd clusters on CeO(2)(111). Starting from stable Pd(n) clusters (n = 1–21), we compared how these clusters can grow through Ostwald ripening and coalescence. As Pd atoms have mobility higher than that of Pd(n) clusters on the CeO(2)(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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spelling pubmed-56958952017-11-21 Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria Su, Ya-Qiong Liu, Jin-Xun Filot, Ivo A. W. Hensen, Emiel J. M. Chem Mater [Image: see text] We carried out density functional theory calculations to investigate the ripening of Pd clusters on CeO(2)(111). Starting from stable Pd(n) clusters (n = 1–21), we compared how these clusters can grow through Ostwald ripening and coalescence. As Pd atoms have mobility higher than that of Pd(n) clusters on the CeO(2)(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. American Chemical Society 2017-10-13 2017-11-14 /pmc/articles/PMC5695895/ /pubmed/29170602 http://dx.doi.org/10.1021/acs.chemmater.7b03555 Text en Copyright © 2017 American Chemical Society This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License (http://pubs.acs.org/page/policy/authorchoice_ccbyncnd_termsofuse.html) , which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes.
spellingShingle Su, Ya-Qiong
Liu, Jin-Xun
Filot, Ivo A. W.
Hensen, Emiel J. M.
Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria
title Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria
title_full Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria
title_fullStr Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria
title_full_unstemmed Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria
title_short Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria
title_sort theoretical study of ripening mechanisms of pd clusters on ceria
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5695895/
https://www.ncbi.nlm.nih.gov/pubmed/29170602
http://dx.doi.org/10.1021/acs.chemmater.7b03555
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AT hensenemieljm theoreticalstudyofripeningmechanismsofpdclustersonceria

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