Evidence of superatom electronic shells in ligand-stabilized aluminum clusters
Journal article, 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
Author
P. A. Clayborne
University of Jyväskylä
O. Lopez-Acevedo
University of Jyväskylä
R. L. Whetten
University of Jyväskylä
Georgia Institute of Technology
Henrik Grönbeck
Chalmers, Applied Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
H. Hakkinen
University of Jyväskylä
Journal of Chemical Physics
0021-9606 (ISSN) 1089-7690 (eISSN)
Vol. 135 9 094701Areas of Advance
Nanoscience and Nanotechnology
Materials Science
Roots
Basic sciences
Subject Categories
Chemical Sciences
DOI
10.1063/1.3632087