Artículo

A density functional study of small NixSn clusters with x = 1-4

Finetti, Mariela; Ottavianelli, Emilce EthelIcon ; Pis Diez, ReinaldoIcon ; Jubert, Alicia Haydee
Fecha de publicación: 01/2001
Editorial: Elsevier Science
Revista: Computational Materials Science
ISSN: 0927-0256
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

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.
Palabras clave: Bimetallic Clusters , Density Functional Theory , Ni-Sn Cluster
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/70048
URL: https://www.sciencedirect.com/science/article/pii/S0927025600001257
DOI: https://doi.org/10.1016/S0927-0256(00)00125-7
Colecciones
Articulos(CEQUINOR)
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Articulos(INIQUI)
Articulos de INST.DE INVEST.PARA LA INDUSTRIA QUIMICA (I)
Citación
Finetti, Mariela; Ottavianelli, Emilce Ethel; Pis Diez, Reinaldo; Jubert, Alicia Haydee; A density functional study of small NixSn clusters with x = 1-4; Elsevier Science; Computational Materials Science; 20; 1; 1-2001; 57-65
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