Surface diffusion effects on the system and the film properties of a Ziff–Gulari–Barshad type growth model

Abstract

Surface diffusion stands as a fundamental process influencing the dynamics and thermodynamics of surface reactions, playing a pivotal role in the behavior of heterogeneous catalysis and thin film growth. To enhance our understanding, we extend the Ziff-Gulari-Barshad (ZGB) growth model by incorporating the diffusion of reactants involved in film formation. Initially, in the realm of heterogeneous catalysis, we compare our findings with an extended ZGB model that accounts for reactant diffusion. We analyze the shift in phase transition positions, induced by diffusion, in comparison to the original ZGB model. Subsequently, we integrate the film growth aspect. Across all examined cases, diffusion fails to adequately preserve the dynamic features of the extended ZGB model, resulting in poisonous states. Our conclusion underscores the dual impact of diffusion: firstly, it diminishes the film growth rate relative to the diffusionless scenario, and secondly, its effective influence on the final film height is evident only when considering hops in different layers. This assertion is validated through computations where diffusion with hops in different layers is either permitted or prohibited.