4.6 Article

Adsorption of Metals on (100) Metallic Surfaces: Monte Carlo Simulations and Geometrical Phase Transitions

Journal

LANGMUIR
Volume 38, Issue 49, Pages -

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.langmuir.2c01726

Keywords

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Funding

  1. Conicet
  2. Secyt
  3. Foncyt [1672]

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Adsorption and continuous phase transitions of metals on metallic surfaces were studied using Monte Carlo simulations and finite-size scaling theory. The results show that the studied systems belong to the same universality as random sequential adsorption. The percolation threshold for the systems studied is always below the value corresponding to random sequential adsorption, and it tends to that value as temperature increases. At intermediate temperatures, a particular behavior is observed for the embedded atom method interactions.
Adsorption and continuous phase transitions (percolation) of metals on (100) metallic surfaces are studied by means of Monte Carlo simulations and the finite-size scaling theory. The studied systems are Ag/Au(100), Au/Ag(100), Ag/ Pt(100), and Pt/Ag(100), and the embedded atom method (EAM) is employed for energy calculations. Pairwise interactions are also considered for comparative purposes. The study of critical exponents reveals that these systems belong to the same universality as random sequential adsorption (RSA). For the four systems studied, and the two kinds of interactions considered, phase diagrams of percolation threshold,theta(c), as a function of temperature are presented. In all cases, and for all temperatures,.c is always below the value corresponding to RSA, as expected for attractive interactions, and it tends to that value as T. 8. At intermediate temperatures, a particular behavior is found for EAM interactions.

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