The quasichemical approximation for a lattice gas model with nonadditive lateral interactions

1983 ◽  
Vol 78 (4) ◽  
pp. 1994-1998 ◽  
Author(s):  
Andrey Milchev
Keyword(s):  
Lattice Gas ◽  
Lattice Gas Model ◽  
Lateral Interactions ◽  
Quasichemical Approximation

The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study

2015 ◽  
Vol 17 (5) ◽  
pp. 3050-3058 ◽  
Author(s):  
O. A. Pinto ◽  
P. M. Pasinetti ◽  
A. J. Ramirez-Pastor ◽  
F. D. Nieto
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Binary Mixtures ◽  
Lattice Gas ◽  
Monte Carlo Study ◽  
Lattice Gas Model ◽  
Grand Canonical Monte Carlo ◽  
Lateral Interactions ◽  
Additive Interactions ◽  
Grand Canonical

The adsorption of binary mixtures with non-additive lateral interactions has been studied through grand canonical Monte Carlo simulations in the framework of the lattice-gas model.

Adsorption thermodynamics of a lattice–gas model with non-additive lateral interactions

2008 ◽  
Vol 602 (10) ◽  
pp. 1763-1769 ◽  
Author(s):  
O.A. Pinto ◽  
A.J. Ramirez-Pastor ◽  
F. Nieto
Keyword(s):  
Lattice Gas ◽  
Lattice Gas Model ◽  
Adsorption Thermodynamics ◽  
Lateral Interactions

Coarse bifurcation analysis of kinetic Monte Carlo simulations: A lattice-gas model with lateral interactions

2002 ◽  
Vol 117 (18) ◽  
pp. 8229-8240 ◽  
Author(s):  
Alexei G. Makeev ◽  
Dimitrios Maroudas ◽  
Athanassios Z. Panagiotopoulos ◽  
Ioannis G. Kevrekidis
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Bifurcation Analysis ◽  
Lattice Gas ◽  
Kinetic Monte Carlo ◽  
Lattice Gas Model ◽  
Lateral Interactions ◽  
Kinetic Monte Carlo Simulations

THEORY OF CHEMISORPTION ON METAL SURFACES AT FINITE SUBMONOLAYER COVERAGES

1994 ◽  
Vol 08 (14) ◽  
pp. 1893-1907
Author(s):  
EWA TARANKO ◽  
RYSZARD TARANKO
Keyword(s):  
Electronic Structure ◽  
Green's Function ◽  
Metal Surfaces ◽  
Lattice Gas ◽  
Lattice Gas Model ◽  
Lateral Interactions ◽  
Self Energy ◽  
Coverage Dependence ◽  
Function Formalism ◽  
Green's Function Formalism

A chemisorption theory of hydrogen-like atoms on metal surfaces at submonolayer coverages, based on the generalized Anderson-Newns Hamiltonian and Green’s Function formalism, is presented. A very general Hamiltonian with the terms proportional to three and four adion number operators was derived. The utility of this Hamiltonian in the context of the lattice gas model of the chemisorbed layer with non-additive lateral interactions is discussed. The coverage-dependence of the electronic structure of chemisorbed adlayer is investigated. It is shown, that the adatom ionization level’s self-energy is evidently coverage dependent as opposite to this one corresponding to the affinity level.

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