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Structural dynamics in Ni–Fe catalysts during CO₂ methanation - role of iron oxide clusters

Serrer, Marc-André; Gaur, Abhijeet; Jelic, Jelena ORCID iD icon; Weber, Sebastian ORCID iD icon; Fritsch, Charlotte; Clark, Adam H.; Saraçi, Erisa ORCID iD icon; Studt, Felix; Grunwaldt, Jan-Dierk ORCID iD icon

Abstract:

Bimetallic Ni–Fe catalysts show great potential for CO2 methanation concerning activity, selectivity and long-term stability even under transient reaction conditions as required for Power-to-X applications. Various contrary suggestions on the role of iron in this system on CO2 activation have been proposed, hence, its actual task remained still unclear. In this study, we used X-ray absorption spectroscopy (XAS) combined with X-ray diffraction (XRD), XAS in combination with modulation excitation spectroscopy (MES) and density functional theory (DFT) to shed detailed light on the role of iron in a bimetallic Ni–Fe based CO2 methanation catalyst. During catalyst activation we observed a synergistic effect between nickel and iron that led to higher fractions of reduced nickel compared to a monometallic Ni-based catalyst. By XAS–XRD combined with DFT, we found formation of FeOx clusters on top of the metal particles. Modulation excitation coupled XAS data complemented with DFT calculations provided evidence of a Fe0 ⇌ Fe2++ ⇌ Fe3+ redox mechanism at the interface of these FeOx clusters. This may promote CO2 dissociation. ... mehr

Zugehörige Institution(en) am KIT Institut für Katalyseforschung und -technologie (IKFT)
Institut für Technische Chemie und Polymerchemie (ITCP)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2020
Sprache Englisch
Identifikator ISSN: 2044-4753, 2044-4761
KITopen-ID: 1000124247
HGF-Programm 37.03.01 (POF III, LK 01) Catalysts and Mechanisms
Erschienen in Catalysis science & technology
Verlag Royal Society of Chemistry (RSC)
Band 10
Heft 22
Seiten 7542-7554
Vorab online veröffentlicht am 30.09.2020
Nachgewiesen in Dimensions
OpenAlex

Verlagsausgabe §
DOI: 10.5445/IR/1000124247
Veröffentlicht am 21.02.2021
Originalveröffentlichung
DOI: 10.1039/D0CY01396J
Dimensions
Zitationen: 67
Seitenaufrufe: 206
seit 09.10.2020
Downloads: 269
seit 01.03.2021
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