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
H. Hakkinen
Jyväskylän Yliopisto
Journal of Chemical Physics
0021-9606 (ISSN) 1089-7690 (eISSN)
Vol. 135 9 094701Styrkeområden
Nanovetenskap och nanoteknik
Materialvetenskap
Fundament
Grundläggande vetenskaper
Ämneskategorier
Kemi
DOI
10.1063/1.3632087