Theoretical Insight into Origin of Elect

This study presents a theoretical insight into the mechanisms underlying the electrochemical promotion of ethylene oxidation on ruthenium oxide. The primary objective is to elucidate the origin of this promotion effect through detailed analysis and computational methods. Employing a combination of ab initio atomic thermodynamics and cyclic voltammetry, the research investigates the influence of various parameters including chemical potential, temperature, and oxygen partial pressure on the catalytic performance. Significant findings indicate that the surface potential has a profound effect on the reaction kinetics, as evidenced by sensitivity analyses and energy calculations. Moreover, the interactions between ruthenium layers and the applied potential were explored, contributing to a deeper understanding of the electrochemical promotion phenomenon. This work not only sheds light on the fundamental aspects of catalysis but also provides valuable insights for tailoring catalytic materials for enhanced performance in industrial applications.