First order phase transition in a modified Ziff-Gulari-Barshad model with self-oscillating reactant coverages

TL;DR

This study uses kinetic Monte Carlo simulations to analyze how surface reconstructions and desorption influence the first-order phase transition in a modified ZGB model, revealing that the transition persists but weakens with increased desorption.

Contribution

It introduces a modified ZGB model incorporating oscillatory kinetics and surface reconstructions, providing new insights into the robustness of the phase transition under these conditions.

Findings

Discontinuous phase transition persists despite surface reconstructions.

Desorption broadens the order-parameter distribution but maintains bimodality.

First-order transition weakens as desorption rate increases.

Abstract

Using kinetic Monte Carlo simulations, we study the effect of oscillatory kinetics due to surface reconstructions on Ziff-Gulari-Barshad (ZGB) model discontinuous phase transition. To investigate the transition, we do extensive finite size scaling analysis. It is found that the discontinuous transition still exists. On inclusion of desorption in the model, the order-parameter probability distribution broadens but remains bimodal. That is, the first-order phase transition becomes weaker with increase in desorption rate.