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Structures of Platinum Clusters: Planar or Spherical?
Abstract
Platinum clusters of up to 55 atoms were studied using density functional theory with a plane wave basis set. The results show that planar platinum clusters of up to nine atoms are as stable as their three-dimensional isomers and the six-atom planar cluster is, surprisingly, more stable than its three-dimensional isomers. Among the three-dimensional platinum clusters investigated in this work, the layered clusters are found to be as stable as their spherical close-packed isomers. The high stability of planar and layered clusters suggests that it is easy to grow a platinum monolayer or multilayer. The existence of many energetically possible isomers shows a fluxional structural characteristic of platinum clusters. The effect of the spin−orbit coupling was investigated, and the results show that the relative stability of the Pt clusters is not affected although the binding energy of the cluster increases if the spin−orbit coupling is included in the calculation. Most of the platinum clusters studied here show good conductivity and ferromagnetism, which make them potentially useful as high-density magnetic data storage materials. A quantitative correlation is provided between various properties of platinum clusters and the structure and size.
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Metadata
- Authors
- Xiao, L., & Wang, L.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2004-07-07
- Volume
- 108
- Issue
- 41
- Pages
- 8605-8614
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W1969707204
- Cited by
- 277
- References
- 35
- FWCI
- 7.78
- Type
- journal article
- Language
- en
- Open access
- closed
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