CROISÉ, Charlotte; ALABD, Khaled; VILLESUZANNE, Antoine; CAN, Fabien; COURTOIS, Xavier; GAUDIN, Etienne; TENCÉ, Sophie; BION, Nicolas

doi:10.1016/j.catcom.2023.106689

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CROISÉ, Charlotte
Institut de chimie des milieux et matériaux de Poitiers [UMR 7285] [IC2MP [Poitiers]]

ALABD, Khaled
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

VILLESUZANNE, Antoine
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

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Article de revue

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Catalysis Communications. 2023, vol. 179, p. 106689

Elsevier

Resumen en inglés

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.< Leer menos

Palabras clave en inglés

Ammonia synthesis

Intermetallic

Ruthenium

Electride

Isotopic exchange

DFT

DOI

http://dx.doi.org/10.1016/j.catcom.2023.106689

Proyecto ANR

Poitiers Graduate School on physico-chemical properties of INTerfaces for AeRonautic, Energy and Environment - ANR-18-EURE-0010
Electrures intermétalliques : De nouveaux matériaux pour la synthèse catalytique de l'ammoniac - ANR-19-CE07-0023

Orígen

Importado de Hal

Centros de investigación

Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB) - UMR 5026