Kinetic Monte Carlo Modeling of the Spontaneous Deposition of Platinum on Au(111) Surfaces

The spontaneous deposition of platinum (Pt) atoms on Au(111) surfaces is systematically investigated through kinetic Monte Carlo simulations within the Embedded Atom Model framework. The kinetic model aims to capture both stoichiometric, atomic-scale interactions and the more relevant processes that describe the kinetics of a physical problem. Various deposition rates are examined, encompassing a thorough exploration of Pt adsorption up to a coverage degree of θ=0.25. The resulting 2D islands exhibit a ramified structure, mirroring the experimental methodologies. For the first time, this study extensively analyzes the dependence of both the mean island size and island density on spontaneous deposition, thereby offering valuable insights into the intricate dynamics of the system.

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Publication Details

Journal
Entropy
Published
2025-06-11
DOI
https://doi.org/10.3390/e27060619
Primary Topic
Catalytic Processes in Materials Science
Type
article
Field-Weighted Citation Impact
0.00

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article

Kinetic Monte Carlo Modeling of the Spontaneous Deposition of Platinum on Au(111) Surfaces

M. Cecilia Giménez, Ezequiel P. M. Leiva, O. A. Oviedo
Entropy
Catalytic Processes in Materials Science
article

Kinetic Monte Carlo Modeling of the Spontaneous Deposition of Platinum on Au(111) Surfaces

M. Cecilia Giménez, Ezequiel P. M. Leiva, O. A. Oviedo
article en

Abstract

The spontaneous deposition of platinum (Pt) atoms on Au(111) surfaces is systematically investigated through kinetic Monte Carlo simulations within the Embedded Atom Model framework. The kinetic model aims to capture both stoichiometric, atomic-scale interactions and the more relevant processes that describe the kinetics of a physical problem. Various deposition rates are examined, encompassing a thorough exploration of Pt adsorption up to a coverage degree of θ=0.25. The resulting 2D islands exhibit a ramified structure, mirroring the experimental methodologies. For the first time, this study extensively analyzes the dependence of both the mean island size and island density on spontaneous deposition, thereby offering valuable insights into the intricate dynamics of the system.

EntropyVol. 27(6)
Consejo Nacional de Investigaciones Científicas y Técnicas (AR), Universidad Nacional de Córdoba (AR)
Universidad Nacional de Córdoba, Consejo Nacional de Investigaciones Científicas y Técnicas, Fondo para la Investigación Científica y Tecnológica
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Openalex Percentile: Top 91%
Catalytic Processes in Materials Science
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Kinetic Monte Carlo Modeling of the Spontaneous Deposition of Platinum on Au(111) Surfaces — M. Cecilia Giménez, Ezequiel P. M. Leiva, et al. · Entropy (2025) | TGRS Research Map | TGRS