Mechanisms for deNOx and deN2O Processes on FAU Zeolite with a Bimetallic Cu-Fe Dimer in the Presence of a Hydroxyl Group—DFT Theoretical Calculations
Abstract
:1. Introduction
2. Results and Discussion
3. Materials and Methods
3.1. Computational Details
3.2. Geometrical Models
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Kurzydym, I.; Czekaj, I. Mechanisms for deNOx and deN2O Processes on FAU Zeolite with a Bimetallic Cu-Fe Dimer in the Presence of a Hydroxyl Group—DFT Theoretical Calculations. Molecules 2024, 29, 2329. https://doi.org/10.3390/molecules29102329
Kurzydym I, Czekaj I. Mechanisms for deNOx and deN2O Processes on FAU Zeolite with a Bimetallic Cu-Fe Dimer in the Presence of a Hydroxyl Group—DFT Theoretical Calculations. Molecules. 2024; 29(10):2329. https://doi.org/10.3390/molecules29102329
Chicago/Turabian StyleKurzydym, Izabela, and Izabela Czekaj. 2024. "Mechanisms for deNOx and deN2O Processes on FAU Zeolite with a Bimetallic Cu-Fe Dimer in the Presence of a Hydroxyl Group—DFT Theoretical Calculations" Molecules 29, no. 10: 2329. https://doi.org/10.3390/molecules29102329