Monte Carlo simulation of metal deposition on foreign substrates

TL;DR

This paper uses grand canonical Monte Carlo simulations with a lattice-gas model to study how temperature and surface defects affect metal deposition on foreign substrates, providing insights into adsorption behaviors.

Contribution

It introduces a simulation approach combining Monte Carlo methods and a lattice-gas model to analyze metal deposition on various substrates, considering surface defects and temperature effects.

Findings

Adsorption isotherms are influenced by temperature and surface defects.

Relative interactions between atoms determine general adsorption trends.

Different metal/substrate systems exhibit distinct adsorption behaviors.

Abstract

The deposition of a metal on a foreign substrate is studied by means of grand canonical Monte Carlo simulations and a lattice-gas model with pair potential interactions between nearest neighbors. The influence of temperature and surface defects on adsorption isotherms and differential heat of adsorption is considered. The general trends can be explained in terms of the relative interactions between adsorbate atoms and substrate atoms. The systems Ag/Au(100), Ag/Pt(100), Au/Ag(100) and Pt/Ag(100) are analyzed as examples.