Simulated Dynamics of Underpotential Deposition of Cu with Sulfate on Au(111)

TL;DR

This paper uses dynamic Monte Carlo simulations to model the underpotential deposition of copper with sulfate on Au(111), reproducing experimental current asymmetries and exploring microscopic structures during phase transitions.

Contribution

It introduces a lattice-gas model with dynamic Monte Carlo simulations to study the adsorption process and current profiles during potential-step experiments.

Findings

Simulated current profiles match experimental asymmetries.

Microscopic structures during evolution raise new research questions.

Model provides insights into phase transition dynamics.

Abstract

Numerical studies of lattice-gas models are well suited to describe multi-adsorbate systems. One example is the underpotential deposition of Cu on Au(111) in the presence of sulfuric acid. Preliminary results from dynamic Monte Carlo simulations of the evolution of the adsorbed layer during potential-step experiments across phase transitions are presented for this particular system. The simulated current profiles reproduce a strong asymmetry seen in recent experiments. Examination of the microscopic structures that occur during the simulated evolution processes raises questions that need to be investigated by further experimental and theoretical study.