@article {Okumura:October 2008:0922-6168:737,
author = "Okumura, Mitsutaka",
author = "Sakane, Satoshi",
author = "Kitagawa, Yasutaka",
author = "Kawakami, Takashi",
author = "Toshima, Naoki",
author = "Yamaguchi, Kizashi",
title = "DFT studies of the characteristics of PdPt coreshell clusters",
journal = "Research on Chemical Intermediates",
volume = "34",
year = "October 2008",
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.",
pages = "737-742(6)",
url = "http://www.ingentaconnect.com/content/vsp/rci/2008/00000034/F0020008/art00011"
doi = "doi:10.1163/156856708786189348"
}