INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
Computer simulation and detailed mean-field approximation applied to adsorption on nanoparticles
Autor/es:
O.A.PINTO; LOPEZ DE MISHIMA, B.; M. DAVILA ; A. J. RAMIREZ-PASTOR; LEIVA E. P.M; OVIEDO O. A.
Revista:
PHYSICAL REVIEW E
Editorial:
AMER PHYSICAL SOC
Referencias:
Lugar: New York; Año: 2013 vol. 88 p. 62407 - 62415
ISSN:
1539-3755
Resumen:
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
