Computer simulation and detailed mean-field approximation applied to adsorption on nanoparticles.
Adsorption thermodynamics of interacting particles adsorbed on icosahedral and truncated octahedral nanoparticles was studied by a detailed mean-field approximation and Monte Carlo simulations. The nanoparticle is tackled as a multivariate surface, where different types of adsorption sites occur according to coordination with nearest neighbors. In addition, lateral couplings between the adsorbed particles are considered. The analysis covers a wide range of interactions, extending from physical to strong chemical bonds, and different sizes and shapes of nanoparticles.
Centro de Investigaciones y Transferencia de Santiago del Estero (CITSE), Universidad Nacional de Santiago de Estero-CONICET, Ruta Nacional 9, Km 1125, Villa el Zanjón, 4206, Santiago del Estero, Argentina.
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Pinto
Centro de Investigaciones y Transferencia de Santiago del Estero (CITSE), Universidad Nacional de Santiago de Estero-CONICET, Ruta Nacional 9, Km 1125, Villa el Zanjón, 4206, Santiago del Estero, Argentina.
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López de Mishima
Departamento de Física, Instituto de Física Aplicada, Universidad Nacional de San Luis-CONICET, Chacabuco 917, D5700BWS San Luis, Argentina.
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Dávila
Departamento de Física, Instituto de Física Aplicada, Universidad Nacional de San Luis-CONICET, Chacabuco 917, D5700BWS San Luis, Argentina.
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Ramirez-Pastor
Instituto de Investigaciones de Fisicoquímica de Córdoba (INFIQC) CONICET, Departamento de Matemática y Física de la Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, X5000HUA, Córdoba, Argentina.
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Leiva
Instituto de Investigaciones de Fisicoquímica de Córdoba (INFIQC) CONICET, Departamento de Matemática y Física de la Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, X5000HUA, Córdoba, Argentina.
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Oviedo