Artículos de revistas
On the selective decoration of facets in metallic nanoparticles
Fecha
2012-07Registro en:
Mariscal, Marcelo; Oviedo, Oscar Alejandro; Leiva, Ezequiel Pedro M.; On the selective decoration of facets in metallic nanoparticles; Materials Research Society; Journal Of Materials Research; 27; 14; 7-2012; 1777-1786
0884-2914
CONICET Digital
CONICET
Autor
Mariscal, Marcelo
Oviedo, Oscar Alejandro
Leiva, Ezequiel Pedro M.
Resumen
This work presents key modeling aspects that are central to the manipulation of the decoration of metallic nanoparticles by a thin shell of a metal of different chemical nature. The concept of underpotential deposition is generalized to nanoparticles. An all-atom model, taking into account many-body interactions by means of the embedded atom potential, was used to represent nanoparticles of different sizes and atomic adsorbates on them. A full set of state-of-the-art computer simulations are performed for a model system, showing that selective decoration of facets is possible. The trends observed in the present work are in good qualitative agreement with experimental data reported very recently. © 2012 Materials Research Society.