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Role of hydride ion within Ru/LaScSi and Ru/CeTiGe catalysts for NH3 synthesis: A combination of DFT and experimental nitrogen isotopic exchange studies
- Source :
- Catalysis Communications, Vol 179, Iss , Pp 106689- (2023)
- Publication Year :
- 2023
- Publisher :
- Elsevier, 2023.
-
Abstract
- The design of catalysts active for ammonia synthesis under mild conditions of temperature and pressure is a new grail for its production process based on green hydrogen and intermittent renewable energy sources. Ru/LaScSi and Ru/CeTiGe are investigated with an approach combining DFT calculations and 15N/14N homomolecular exchange experiments. Ru/LaScSi is the most active of both catalysts. It has electride-like properties which are enhanced when partially hydrogenated leading to higher activity in nitrogen equilibration reaction. Ru/CeTiGe, relatively active despite the absence of electride-like character, is proposed to produce NH3 following the associative mechanism with the assistance of absorbed H.
Details
- Language :
- English
- ISSN :
- 18733905
- Volume :
- 179
- Issue :
- 106689-
- Database :
- Directory of Open Access Journals
- Journal :
- Catalysis Communications
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.1f2f3c9ad27b494db3d21cc9c223c426
- Document Type :
- article
- Full Text :
- https://doi.org/10.1016/j.catcom.2023.106689