Evidence of superatom electronic shells in ligand-stabilized aluminum clusters
Artikel i vetenskaplig tidskrift, 2011

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.

2009

solids

physics

building-blocks

compound

clusters

crystals

ng w

v65

v21

1993

atomic clusters

gold

heer wa

thiolate-protected au-25

p611

p7

Författare

P. A. Clayborne

Jyväskylän Yliopisto

O. Lopez-Acevedo

Jyväskylän Yliopisto

R. L. Whetten

Jyväskylän Yliopisto

Georgia Institute of Technology

Henrik Grönbeck

Chalmers, Teknisk fysik, Kemisk fysik

Kompetenscentrum katalys (KCK)

H. Hakkinen

Jyväskylän Yliopisto

Journal of Chemical Physics

0021-9606 (ISSN) 1089-7690 (eISSN)

Vol. 135 9 094701

Styrkeområden

Nanovetenskap och nanoteknik

Materialvetenskap

Fundament

Grundläggande vetenskaper

Ämneskategorier

Kemi

DOI

10.1063/1.3632087