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Structure of Unsupported Small Palladium Nanoparticles

✍ Scribed by Weihong Qi; Baiyun Huang; Mingpu Wang


Book ID
107470367
Publisher
Springer-Verlag
Year
2009
Tongue
English
Weight
443 KB
Volume
4
Category
Article
ISSN
1931-7573

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Electronic structures of Pd4 and P t4 clusters are studied using a model potential method in the Hartree-Fock-Xootha scheme. The lowest bound state of Pd4 is 'Bz ruising from (d'0)3d9s, while the ground state of A4 is 7B2, which comes from (ds#. Band structures of the clusters are compared with tllo