Producción CyT
Congreso
Autoría
Elizabeth del Valle Gómez
;
Amaya-Roncancio, Sebastián
;
Lucía B. Avalle
;
Daniel Linares
;
M. C. Giménez
Fecha
2018
Editorial y Lugar de Edición
Fundación Alexander von Humdbolt
Resumen
Información suministrada por el agente en
SIGEVA
Monte Carlo simulations can be applied to a wide variety of topics. I will show some examples like adsorption of particles on surfaces, nanowires and nanoparticles. By means of Monte Carlo simulations and a lattice model, the adsorption of particles on surfaces was studied. Some real systems were modeled, such adsorption of silver on gold surfaces, or different combinations of metals as adsorbate and substrate. On the other hand, some idealized systems of monomers and dimers adsorbed on differe...
Monte Carlo simulations can be applied to a wide variety of topics. I will show some examples like adsorption of particles on surfaces, nanowires and nanoparticles. By means of Monte Carlo simulations and a lattice model, the adsorption of particles on surfaces was studied. Some real systems were modeled, such adsorption of silver on gold surfaces, or different combinations of metals as adsorbate and substrate. On the other hand, some idealized systems of monomers and dimers adsorbed on different kinds of surfaces were simulated and the percolation properties were studied. Another application of Monte Carlo simulations were the study of nanowires and nanoparticles of several metals and alloys. Ab-initio calculations were employed to study systems related to sutainable energies, like fueel cells and Lithium-ion batteries. A combination of ab-initio with Monte Carlo methods are also employed to study hydrogen adsorption on metal surfaces.
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Palabras Clave
SURFACESHYDROGENPERCOLATIONADSORPTIONMONTE CARLO SIMULATIONSDFT