Kinetic Monte Carlo Modeling of the Spontaneous Deposition of Platinum on <i>Au</i>(111) Surfaces

Kinetic Monte Carlo Modeling of the Spontaneous Deposition of Platinum on <i>Au</i>(111) Surfaces

The spontaneous deposition of platinum (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>P</mi><mi>t</mi></mrow></semantics></math></inline-formula>) atom...

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Bibliographic Details
Main Authors: María Cecilia Gimenez, Oscar A. Oviedo, Ezequiel P. M. Leiva
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Entropy
Subjects:
kinetic Monte Carlo simulations
platinum
gold surface
spontaneous deposition
adsorption
diffusion
Online Access:https://www.mdpi.com/1099-4300/27/6/619
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Summary:The spontaneous deposition of platinum (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>P</mi><mi>t</mi></mrow></semantics></math></inline-formula>) atoms on <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>A</mi><mi>u</mi><mo>(</mo><mn>111</mn><mo>)</mo></mrow></semantics></math></inline-formula> 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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>P</mi><mi>t</mi></mrow></semantics></math></inline-formula> adsorption up to a coverage degree of <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi>θ</mi><mo>=</mo><mn>0.25</mn></mrow></semantics></math></inline-formula>. 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.
ISSN:1099-4300

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