The growth of AgNi clusters is studied by means of Molecular Dynamics simulations at sizes between 200 and 300 atoms. It is found that core-shell structure with an Ni core and an Ag external shell are the most favorable in good agreement with experimental data. Core-shell structures energetics is studied also by a global optimization genetic algorithm, which predicts that the global minimum is an Ni core covered by an Ag shell already at small sizes.
Growth and energetic stability of AgNi core-shell clusters / F. Baletto, C. Mottet, A. Rapallo, G. Rossi, R. Ferrando. - In: SURFACE SCIENCE. - ISSN 0039-6028. - 566-568:1-3(2004), pp. 192-196. ((Intervento presentato al 22. convegno European Conference on Surface Science tenutosi a Prague nel 2003 [10.1016/j.susc.2004.05.044].
Growth and energetic stability of AgNi core-shell clusters
F. BalettoPrimo
;
2004
Abstract
The growth of AgNi clusters is studied by means of Molecular Dynamics simulations at sizes between 200 and 300 atoms. It is found that core-shell structure with an Ni core and an Ag external shell are the most favorable in good agreement with experimental data. Core-shell structures energetics is studied also by a global optimization genetic algorithm, which predicts that the global minimum is an Ni core covered by an Ag shell already at small sizes.
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