Size effects on silver nanoparticles' properties.
Nanotechnology
; 22(27): 275708, 2011 Jul 08.
Article
em En
| MEDLINE
| ID: mdl-21597143
ABSTRACT
In this work a systematic study of the dependence of the structural, electronic, and vibrational properties on nanoparticle size is performed. Based on our total energy calculations we identified three characteristic regimes associated with the nanoparticle's dimensions (i) below 1.5 nm (100 atoms) where remarkable molecular aspects are observed; (ii) between 1.5 and 2.0 nm (100 and 300 atoms) where the molecular behavior is influenced by the inner core crystal properties; and (iii) above 2.0 nm (more than 300 atoms) where the crystal properties are preponderant. In all considered regimes the nanoparticle's surface modulates its properties. This modulation decreases with the increasing of the nanoparticle's size.
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Base de dados:
MEDLINE
Tipo de estudo:
Prognostic_studies
Idioma:
En
Ano de publicação:
2011
Tipo de documento:
Article