6533b7cffe1ef96bd1258c79

RESEARCH PRODUCT

Metal Cluster — Surface Interaction: Simple Models and Ab Initio Calculations

Hannu HäkkinenM. Manninen

subject

Condensed Matter::Materials ScienceAdsorptionMaterials sciencePhysisorptionChemical physicsChemisorptionComputational chemistryAb initio quantum chemistry methodsPhysics::Atomic and Molecular ClustersAb initioCluster (physics)SIESTA (computer program)Valence electron

description

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.

yearjournalcountryeditionlanguage
1999-01-01
https://doi.org/10.1007/978-3-642-58389-6_14