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 094701

Styrkeområden

Nanovetenskap och nanoteknik (SO 2010-2017, EI 2018-)

Materialvetenskap

Fundament

Grundläggande vetenskaper

Ämneskategorier

Kemi

DOI

10.1063/1.3632087

Mer information

Skapat

2017-10-07