Title of article
A density functional study of small NixSn clusters with x=1–4
Author/Authors
Finetti، نويسنده , , M and Ottavianelli، نويسنده , , E.E and Pis Diez، نويسنده , , R and Jubert، نويسنده , , A.H، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
9
From page
57
To page
65
Abstract
Results of a systematic study of the geometry, electronic structure, magnetic, and vibrational properties of small NixSn clusters, with x=1–4, within the framework of the density functional theory are presented in this work. Population analyses are used to investigate the effect of tin on the nickel atoms towards an understanding of the changes in the catalytic behavior observed in the bimetallic system when it is compared with pure nickel.
Keywords
Ni–Sn cluster , Bimetallic clusters , Density functional theory
Journal title
Computational Materials Science
Serial Year
2001
Journal title
Computational Materials Science
Record number
1678825
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