COMPUTER SIMULATION AND DETAILED MEAN- FIELD APPROXIMATION APPLIED TO ADSORPTION ON NANOPARTICLES

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

PHYSICAL REVIEW E

AMER PHYSICAL SOC

Lugar: New York; Año: 2013 vol. 88 p. 62407 - 62415

1539-3755

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.