Issue 21, 2016

Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study

Abstract

In the present work, we study the adsorption of different monomolecular species on nanoparticles with different sizes and geometries using a grand canonical Monte Carlo method. These species are characterized by repulsive lateral interactions between themselves, as takes place in the case of the adsorption of partially charged atoms or molecules. Nanosize effects are analyzed in terms of adsorption on edge and facet sites. The energy minimization in these systems comes out as a complex conjugation of the repulsive lateral interactions between the adsorbates and the attractive interactions of the adsorbates with the nanoparticle. The phenomenon is analyzed as a function of the occurrence of different ordered structures being formed on the surface of the nanoparticle. We find that layers with different structures may coexist on different facets of the nanoparticle. Finally, a discussion of deposition on flat surfaces and in finite systems is given.

Graphical abstract: Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study

Supplementary files

Article information

Article type
Paper
Submitted
23 Feb 2016
Accepted
10 May 2016
First published
10 May 2016

Phys. Chem. Chem. Phys., 2016,18, 14610-14618

Author version available

Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study

O. A. Pinto, B. A. López de Mishima, E. P. M. Leiva and O. A. Oviedo, Phys. Chem. Chem. Phys., 2016, 18, 14610 DOI: 10.1039/C6CP01236A

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