Computational screening analysis of iron zeolites for selectively capturing NO<sub><i>x</i></sub> and CO over H<sub>2</sub>O and CO<sub>2</sub>
Unlocking the selective adsorption of NO, NO 2 and CO in the presence of H 2 O and CO 2 using iron zeolites: a systematic DFT screening of key questions and properties.
Authors
- Michaël Badawi (ORCID: https://orcid.org/0000-0002-3504-4180)
- David Dell’Angelo (ORCID: https://orcid.org/0009-0003-7843-6349)
- Ioannis Karamanis (ORCID: https://orcid.org/0009-0001-6942-9169)
- Hubert Monnier (ORCID: https://orcid.org/0000-0002-6175-3247)
Institutions
- Centre National de la Recherche Scientifique (FR)
- Institut National de Recherche et de Sécurité (FR)
- Université de Lorraine (FR)
Publication Details
- Journal
- Molecular Systems Design & Engineering
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5me00003c
- Primary Topic
- Catalytic Processes in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Agence Nationale de la Recherche
- Grand Équipement National De Calcul Intensif