Atomistic computer simulations on the generation of bimetallic nanoparticles
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Updated: Jul 5, 2026

Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
Published on: August 23, 2018
M M Mariscal1, N A Oldani, S A Dassie
1Unidad de Matemática y Fisica, INFIQC--Facultad de Ciencias Químicas, Universidad Nacional de, Córdoba, Argentina. marmariscal@fcq.unc.edu.ar
Abstract:
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.

