Computer Simulation and Details Mean-field Approximation Applied to Adsorption on Nanoparticles

O. A. PINTO, B. LÓPEZ DE MISHIMA, M. DÁVILA, A. J. RAMIREZ-PASTOR, E. P. M. LEIVA AND O. A. OVIEDO

AMER PHYSICAL SOC

Lugar: New York; Año: 2013 vol. 88 p. 62407 - 62407

dsorption 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.