Role of hydride ion within Ru/LaScSi and Ru/CeTiGe catalysts for NH3 synthesis: A combination of DFT and experimental nitrogen isotopic exchange studies

Role of hydride ion within Ru/LaScSi and Ru/CeTiGe catalysts for NH3 synthesis: A combination of DFT and experimental nitrogen isotopic exchange studies

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...

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Bibliographic Details
Main Authors: Charlotte Croisé, Khaled Alabd, Antoine Villesuzanne, Fabien Can, Xavier Courtois, Etienne Gaudin, Sophie Tencé, Nicolas Bion
Format: Article
Language:English
Published: Elsevier 2023-06-01
Series:Catalysis Communications
Subjects:
Ammonia synthesis
Intermetallic
Ruthenium
Electride
Isotopic exchange
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S1566736723000912

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http://www.sciencedirect.com/science/article/pii/S1566736723000912

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