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Interplay between Bonding and Magnetism in the Adsorption of NO on Rh Clusters
- Publication Year :
- 2007
-
Abstract
- We have studied the adsorption of NO on small Rh clusters, containing one to five atoms, using density functional theory in both spin-polarized and non-spin-polarized forms. We find that NO bonds more strongly to Rh clusters than it does to Rh(100) or Rh(111); however, it also quenches the magnetism of the clusters. This (local) effect results in reducing the magnitude of the adsorption energy, and also washes out the clear size-dependent trend observed in the non-magnetic case. Our results illustrate the competition present between the tendencies to bond and to magnetize, in small clusters.<br />Comment: Submitted to J. of Chem. Phys
- Subjects :
- Condensed Matter - Materials Science
Condensed Matter - Other Condensed Matter
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.0709.4365
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1063/1.2913242