DFT studies of the characteristics of Pd−Pt core-shell clusters View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2008-08

AUTHORS

Mitsutaka Okumura, Satoshi Sakane, Yasutaka Kitagawa, Takashi Kawakami, Naoki Toshima, Kizashi Yamaguchi

ABSTRACT

It is reported that Pd−Pt core-shell type nanoclusters in which the inner atoms of the Pd cluster are substituted by Pt significantly enhance the catalytic activity for cycloocatdiene hydrogenation. In order to discuss the electronic states of core-shell clusters, DFT calculations were carried out for Pd13, Pt13, Pt/Pd12, Pd/Pt12 Pd38 and Pd6/Pt32 clusters. From these calculations, it was found that the charge transfer between the core atoms and the shell atoms played an important role for the modification of the electronic state of the surface atoms in them. More... »

PAGES

737-742

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf03036932

DOI

http://dx.doi.org/10.1007/bf03036932

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1034401864


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