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

Article

Authorship

GIMENEZ, MARIA CECILIA ; CENTRES, PAULO MARCELO

Date

2022

Publishing House and Editing Place

AMER CHEMICAL SOC

Magazine

LANGMUIR, vol. 38 (pp. 15050-15062) AMER CHEMICAL SOC

Summary Information provided by the agent in SIGEVA

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 seq... 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, ?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 ? ?. At intermediate temperatures, a particular behavior is found for EAM interactions.