Relationship between magnetism, topology, and reactivity of Rh clusters
- 1 October 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 56 (14) , 8849-8854
- https://doi.org/10.1103/physrevb.56.8849
Abstract
Self-consistent first-principles calculations based on the molecular-orbital theory and the Korringa-Kohn-Rostoker Green’s-function method have been used to demonstrate that the magnetism of Rh clusters can be altered by either modifying their structure or depositing them on a suitable substrate. This ability to alter the magnetic properties of clusters can also have significant effect on their chemical reactivity, thus linking the field of magnetism and catalysis of atomically engineered materials.Keywords
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