INVESTIGADORES
LEIVA Ezequiel Pedro M.
congresos y reuniones científicas
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
Lugar:
Birmingham, Inglaterra
Reunión:
Simposio; Faraday Discussion 138: Nanoalloys - From Theory to ApplicationsM. M. MARISCAL; 2007
Institución organizadora:
Royal Society of Chemistry
Resumen:
Computer simulations on the generation of bimetallic nanoparticles are presented in this work. Two different generation mechanisms are simulated: a) cluster-cluster 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 (A-B-A). On the other hand, the growth mechanism at different chemical potentials by means of gcMC reveals the same results as atom dynamics collisions do.
