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Ab initio study of electronic structures of Ptn clusters (n = 2–12)

✍ Scribed by Wei-Xing Xu; K. D. Schierbaum; W. Goepel

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
194 KB
Volume
62
Category
Article
ISSN
0020-7608

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✦ Synopsis

Electronic structures of a series of Pt clusters n s 2᎐12 have been n Ž . calculated by ab initio method SCFrMP2 . The result shows that compared to that at the saturated coordination site, Pt at the unsaturated coordination site has lower Pt 6 s electron occupancies, and the relationship between the electronic structure and the cluster size has been discussed. It is found that when the number of Pt in cluster reaches 7, electronic structures become more like the metallic ones.

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