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

Artículo

Autoría

GIMENEZ, MARIA CECILIA ; OVIEDO, OSCAR ALEJANDRO ; LEIVA, EZEQUIEL PEDRO M.

Fecha

2025

Editorial y Lugar de Edición

MOLECULAR DIVERSITY PRESERVATION INTERNATIONAL-MDPI

Revista

ENTROPY, vol. 27 (pp. 1-20) - ISSN 1099-4300
MOLECULAR DIVERSITY PRESERVATION INTERNATIONAL-MDPI

ISSN

1099-4300

Resumen Información suministrada por el agente en SIGEVA

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 ? = 0.25. The resulting 2D isla... 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 ? = 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 ofthe system.

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Palabras Clave

SPONTANEOUS DEPOSITIONPLATINUMDIFUSSIONKINETIC MONTE CARLO SIMULATIONSADSORPTIONGOLD SURFACE

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http://hdl.handle.net/11336/276538