DASSIE SERGIO ALBERTO
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:
Congreso; Faraday Discussion 138: Nanoalloys - From Theory to Applications; 2007
Resumen:
Atomistic Computer Simulations of Generation of Metal Nanoparticles M. M. Mariscal, N. A. Oldani, S. A. Dassie, and E. P. M. Leiva Unidad de Matemática y Física, INFIQC - Facultad de Ciencias Químicas, Universidad Nacional de Córdoba ? Argentina Abstract Computer simulations of generation of bimetallic nanoparticle are shown in the present work. Two different growth mechanisms are used: cluster-cluster collision by means of molecular (atom) dynamics simulations by one way, and grand canonical Monte Carlo (gcMC) calculations to simulation bimetallic nanoparticle growth from a previous seed. Different structures are found when two metal nanoparticles collide: core/shell, alloyed and three shell (A-B-A) ones. By other hand, the growth mechanism at different chemical potentials by means of gcMC reveals the same results than atom dynamics collisions.
