A Density Functional Theory Study Evaluating the Cooperative and Synergic Effects Between (RuO2)4 and (Fe2O3)2 Clusters in Mixed (RuO2)4–(Fe2O3)2 System on the Dissociation of Water

• Published in: Journal of physical chemistry. C Vol. 129; no. 3; pp. 1733 - 1745
• Main Authors: Loghmani, Nazanin, Farrokhpour, Hossein, Hadadzadeh, Hassan, Mosallaei, Hamta
• Format: Journal Article
• Language: English
• Published: American Chemical Society 23.01.2025
• Subjects: C: Chemical and Catalytic Reactivity at Interfaces

The dissociation of water has been identified as one of the crucial reactions in evolving H2 and O2 as clean fuels in many investigations. Studying the cooperative and synergic effect between RuO2 and Fe2O3 on the performance of RuO2–Fe2O3 toward the water dissociation reaction is the subject of our...