Lattice-gas model of chemisorption on metal surfaces

Zhdanov, Vladimir P.

doi:10.3367/ufnr.0149.198608b.0635

Cited by 33 publications

(3 citation statements)

References 7 publications

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“…The Hamiltonian that describes the adsorption of surfactant particles within the Anderson ± Newns model has the form: 40,41…”

Section: Lattice Gas Modelsmentioning

confidence: 99%

“…In almost all cases, the surfactant particles adsorbed on a crystal surface induce reorganisation in first near-surface layers (phase transition of second order, without a heat effect or change in the specific volume). If the electronic subsystem of the crystal lattice is only slightly affected by surfactant adsorption, computer simulation can use the Hamiltonian (15) in the form: 40,41 H 0X5…”

Section: Lattice Gas Modelsmentioning

confidence: 99%

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Computer simulation of electrochemical processes on interfaces

Khaldeev¹,

Petrov²

1998

Russ. Chem. Rev.

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The basic problems of computer simulation of mass and charge transfer in electrochemical processes such as electrocrystallisation and corrosion of metals are analysed. Three main approaches to the simulation of electrochemical problems are considered: the Ising (lattice gas) model, molecular dynamics (MD) and Monte Carlo (MC) methods. The principal equations used in simulation techniques and examples of the simulation of particular systems are presented. The bibliography includes 136 references.

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“…The Hamiltonian that describes the adsorption of surfactant particles within the Anderson ± Newns model has the form: 40,41…”

Section: Lattice Gas Modelsmentioning

confidence: 99%

Section: Lattice Gas Modelsmentioning

confidence: 99%

Computer simulation of electrochemical processes on interfaces

Khaldeev¹,

Petrov²

1998

Russ. Chem. Rev.

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“…Far less consideration has been given to the coverage dependence of the pre-exponential factor for desorption (Zhdanov, 1986).…”

Section: Introductionmentioning

confidence: 99%

El impacto de los observables: coeficiente de sticking y espectros de desorción térmica programada sobre los esquemas dinámicos en un gas de red en dos dimensiones

Huespe

2017

Rev. Acad. Colomb. Cienc. Ex. Fis. Nat.

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In this paper, we discuss the effect of different dynamic schemes in the behavior of the adsorption desorption kinetics in two dimensional system. Sticking coefficient and programmed thermal desorption spectra (TPD) were obtained and checked using two techniques: Monte Carlo simulation and Transfer Matrix Method (TMM). This study was conducted for three schemes of the so-called hard dynamics, in which the transition probability from single site cannot be factored into a part which depends only on the interaction energy and one that only depends on the field energy, and for five schemes of the so-called soft dynamics, in which this factorization is possible. The results showed excellent agreement between the two techniques for sticking coefficient. TPD adjustments were acceptable considering the limitations of TMM. © 2017. Acad. Colomb. Cienc. Ex. Fis. Nat.Key words: Dynamic schemes; Sticking coefficient; Programmed thermal desorption spectra; Transfer Matrix Method; Monte Carlo Simulation. El impacto de los observables: coeficiente de sticking y espectros de desorción térmica programada sobre los esquemas dinámicos en un gas de red en dos dimensiones ResumenEn este artículo se discute el efecto de los observables cinéticos, (coeficiente de sticking y espectros de desorción térmica programada) sobre diferentes esquemas dinámicos en un modelo de gas red bidimensional. El coeficiente de sticking y los espectros de desorción térmica programada (DTP), se obtuvieron y comprobaron mediante dos técnicas: Simulación Monte Carlo y Método de Matriz de Transferencia (TMM). Este estudio se realizó para tres esquemas de cinética dura en la que la probabilidad de transición no puede ser factorizada en una parte que depende sólo de la energía de interacción y otra que sólo dependa de la energía del campo y para cinco esquemas de cinética blanda, en las que dicha factorización es posible. Los resultados mostraron un excelente acuerdo entre las dos técnicas para el coeficiente de sticking. Los ajustes de TPD fueron aceptables considerando las limitaciones de TMM.

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Statistics of Adsorbed Particles

Zhdanov

1991

Elementary Physicochemical Processes on Solid Surfaces

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Lattice-gas model of chemisorption on metal surfaces

Cited by 33 publications

References 7 publications

Computer simulation of electrochemical processes on interfaces

Computer simulation of electrochemical processes on interfaces

El impacto de los observables: coeficiente de sticking y espectros de desorción térmica programada sobre los esquemas dinámicos en un gas de red en dos dimensiones

Statistics of Adsorbed Particles

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