INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
Atomistic computer simulations on the generation of bimetallic nanoparticles
Autor/es:
M. M. MARISCAL; N. A. OLDANI; S. A. DASSIE; E. P. M. LEIVA
Revista:
Faraday Discussions
Editorial:
Chemical Society
Referencias:
Año: 2008 vol. 138 p. 89 - 104
ISSN:
0301-7249
Resumen:
Computer simulations on the generation of bimetallic nanoparticles are presented in this work. Two different generation mechanisms are simulated: (a) clustercluster collision by means of atom dynamics simulations; and (b) nanoparticle growth from a previous seed through grand canonical Monte Carlo (gcMC) calculations. When two metal nanoparticles collide, different structures are found: core/shell, alloyed and three-shell (ABA). On the other hand, the growth mechanism at different chemical potentials by means of gcMC reveals the same results as atom dynamics collisions do.
