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Investigation of size-selective [Zr.sub.2]@[Si.sub.n] (n=16-24) caged clusters

Authors :
Jin Wang
Jin Huai Liu
Source :
Journal of Physical Chemistry A. May 22, 2008, Vol. 112 Issue 20, 4562-4567
Publication Year :
2008

Abstract

The size-selective [Zr.sub.2]@[Si.sub.n] (n=16-24) caged clusters are investigated using density functional approach. Results suggest that encapsulation of the bimetallic zirconium atoms is favorable for increasing stabilities of silicon cages.

Subjects

Subjects :
Density functionals -- Usage
Silicon -- Chemical properties
Silicon -- Atomic properties
Zirconium -- Chemical properties
Zirconium -- Atomic properties
Chemicals, plastics and rubber industries

Details

Language :
English
ISSN :
10895639
Volume :
112
Issue :
20
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.181917391

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