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Structure and Growth of Small Palladium Clusters

Published online by Cambridge University Press:  01 January 1992

Y. S. Li ,
Y. Cai  and
J. M. Newsam
Y. S. Li
Affiliation:
Biosym Technologies, Inc., 9685 Scranton Road, San Diego, CA 92121
Y. Cai
Affiliation:
Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08855
J. M. Newsam
Affiliation:
Biosym Technologies, Inc., 9685 Scranton Road, San Diego, CA 92121
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Abstract

We study the structure and growth sequence of small palladium clusters Pdn using the Many-Body Alloy (MBA) potential and simulated annealing techniques. Our results show the preference of compact polyhedral structures. These equilibrium structures are compared with the bulk Pd crystal in terms of cohesive energies and nearest neighbor distances. Both the cohesive energy and the nearest neighbor distance show a slow convergence to bulk behaviors. By analyzing the detailed structures and cohesive energies, we find that Pd4, Pd7 and Pd13 are magic number structures, which are the consequence of their high symmetry and large coordination number.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 573
Copyright
Copyright © Materials Research Society 1993

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References

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