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Evidence of superatom electronic shells in ligand-stabilized aluminum clusters
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- Clayborne, P. A. (author)
- Jyväskylän Yliopisto,University of Jyväskylä
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- Lopez-Acevedo, O. (author)
- Jyväskylän Yliopisto,University of Jyväskylä
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- Whetten, R. L. (author)
- Jyväskylän Yliopisto,University of Jyväskylä,Georgia Institute of Technology
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- (creator_code:org_t)
- AIP Publishing, 2011
- 2011
- English.
- In: Journal of Chemical Physics. - : AIP Publishing. - 1089-7690 .- 0021-9606. ; 135:9
- Journal article (peer-reviewed)
Abstract
Subject headings
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- Ligand-stabilized aluminum clusters are investigated by density functional theory calculations. Analysis of Kohn-Sham molecular orbitals and projected density of states uncovers an electronic shell structure that adheres to the superatom complex model for ligand-stabilized aluminum clusters. In this current study, we explain how the superatom complex electron-counting rule is influenced by the electron-withdrawing ligand and a dopant atom in the metallic core. The results may guide the prediction of new stable ligand-stabilized (superatom) complexes, regardless of core and electronwithdrawing ligand composition.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Keyword
- 2009
- solids
- physics
- building-blocks
- compound
- clusters
- crystals
- ng w
- v65
- v21
- 1993
- atomic clusters
- gold
- heer wa
- thiolate-protected au-25
- p611
- p7
Publication and Content Type
- art (subject category)
- ref (subject category)
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- Chalmers University of Technology
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