Theory of Atomic and Molecular Clusters pp 326-346 | Cite as
Metal Cluster — Surface Interaction: Simple Models and Ab Initio Calculations
Abstract
We review recent ab initio atomistic calculations on interactions between metal clusters and electronically inert (insulating) substrates. The model system is sodium clusters on the sodium-chloride (001) surface. This system provides an example of weak cluster-support interaction (physisorption) which can however be easily modified by introducing color centers at the surface, resulting in chemisorption of sodium adatom or cluster. The results obtained from atomistic calculations can be used for constructing simple jellium-type models for the adsorbed cluster. These models allow for systematic investigations in a large size-range of clusters on the shell structure, dimensionality, and stability of the cluster as a function of the strength of the cluster-support interaction.
Keywords
Valence Electron Metal Cluster Atomistic Calculation Jellium Model Free ClusterPreview
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