Role of hydride ion within Ru/LaScSi and Ru/CeTiGe catalysts for NH3 synthesis: A combination of DFT and experimental nitrogen isotopic exchange studies
CROISÉ, Charlotte
Institut de chimie des milieux et matériaux de Poitiers [UMR 7285] [IC2MP [Poitiers]]
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Institut de chimie des milieux et matériaux de Poitiers [UMR 7285] [IC2MP [Poitiers]]
CROISÉ, Charlotte
Institut de chimie des milieux et matériaux de Poitiers [UMR 7285] [IC2MP [Poitiers]]
Institut de chimie des milieux et matériaux de Poitiers [UMR 7285] [IC2MP [Poitiers]]
COURTOIS, Xavier
Institut de chimie des milieux et matériaux de Poitiers [UMR 7285] [IC2MP [Poitiers]]
< Reduce
Institut de chimie des milieux et matériaux de Poitiers [UMR 7285] [IC2MP [Poitiers]]
Language
en
Article de revue
This item was published in
Catalysis Communications. 2023, vol. 179, p. 106689
Elsevier
English 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 ...Read more >
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.Read less <
English Keywords
Ammonia synthesis
Intermetallic
Ruthenium
Electride
Isotopic exchange
DFT
ANR Project
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
Electrures intermétalliques : De nouveaux matériaux pour la synthèse catalytique de l'ammoniac - ANR-19-CE07-0023
Origin
Hal imported