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Evolution of low Z-elements in a Ni/MgFeAlO 4 catalyst during reaction : insight from in situ XRS

Soumya Kumar Das (UGent) , Lennert D'ooghe (UGent) , Nadadur Veeraraghavan Srinath, Stavros-Alexandros Theofanidis (UGent) , Alessandro Longo (UGent) , Christoph Sahle, Kevin Van Geem (UGent) , Hilde Poelman (UGent) , Dirk Poelman (UGent) and Vladimir Galvita (UGent)
(2024) ACS CATALYSIS. 14(3). p.1311-1323
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  • OPTIMA (OPTIMA: PrOcess intensification and innovation in olefin ProducTion by Multiscale Analysis and design)
Abstract
Ni/MgFeAlO4 displays promising activity and stability in the dry reforming of methane. In order to establish a correlation between its performance and structural changes, an in-depth analysis of the Ni/MgFeAlO4 catalyst's constituent elements is conducted using in situ techniques, specifically combined X-ray emission spectroscopy (XES) and X-ray Raman scattering (XRS) spectroscopy. This investigation spans sequential treatments involving H-2 reduction, CO2 reoxidation, and methane dry reforming. XES valence-to-core signals for Fe and Ni retrace the applied treatments. After the reaction, Ni is fully metallic, while Fe shows a mixed metal-oxide state. Comparing these XES spectroscopic data with ab initio simulations indicates that dry reforming of methane does not form metal carbide. C K-edge XRS data recorded after the reaction do not protrude above the noise, proving the capability of the Ni/MgFeAlO4 catalyst to mitigate carbon deposition. O K-edge spectra exhibit variations corresponding to each treatment, effectively replicated through simulations with semiempirical screening parameters. These parameters represent electron transfer between oxygen and neighboring 3d transition metal elements and offer insights into the acid-base properties of the material. Furthermore, the Al L-2,L-3-edge spectra provide valuable information about the impact of treatments on the spinel arrangement, indicating an increasing tetrahedral occupancy of Al3+ in the support. By employing a comprehensive approach that combines XRS with XES, this study provides a holistic understanding of the evolution of low Z-elements, O and Al, alongside Fe and Ni, in the Ni/MgFeAlO4 catalyst throughout the reduction, reoxidation, and methane dry reforming processes.
Keywords
Catalysis, General Chemistry, X-ray Raman scattering, methane dry reforming, CO reoxidation, X-ray, emissionspectroscopy, Ni/MgFeAlO4catalyst, RAY RAMAN-SCATTERING, CO PRODUCTION, NI CATALYSTS, METHANE, SPECTROSCOPY, STABILITY, FE2O3-MGAL2O4, SPECTROMETER, OXIDATION, ID20

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Citation

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MLA
Das, Soumya Kumar, et al. “Evolution of Low Z-Elements in a Ni/MgFeAlO 4 Catalyst during Reaction : Insight from in Situ XRS.” ACS CATALYSIS, vol. 14, no. 3, 2024, pp. 1311–23, doi:10.1021/acscatal.3c05563.
APA
Das, S. K., D’ooghe, L., Nadadur Veeraraghavan Srinath, Theofanidis, S.-A., Longo, A., Sahle, C., … Galvita, V. (2024). Evolution of low Z-elements in a Ni/MgFeAlO 4 catalyst during reaction : insight from in situ XRS. ACS CATALYSIS, 14(3), 1311–1323. https://doi.org/10.1021/acscatal.3c05563
Chicago author-date
Das, Soumya Kumar, Lennert D’ooghe, Nadadur Veeraraghavan Srinath, Stavros-Alexandros Theofanidis, Alessandro Longo, Christoph Sahle, Kevin Van Geem, Hilde Poelman, Dirk Poelman, and Vladimir Galvita. 2024. “Evolution of Low Z-Elements in a Ni/MgFeAlO 4 Catalyst during Reaction : Insight from in Situ XRS.” ACS CATALYSIS 14 (3): 1311–23. https://doi.org/10.1021/acscatal.3c05563.
Chicago author-date (all authors)
Das, Soumya Kumar, Lennert D’ooghe, Nadadur Veeraraghavan Srinath, Stavros-Alexandros Theofanidis, Alessandro Longo, Christoph Sahle, Kevin Van Geem, Hilde Poelman, Dirk Poelman, and Vladimir Galvita. 2024. “Evolution of Low Z-Elements in a Ni/MgFeAlO 4 Catalyst during Reaction : Insight from in Situ XRS.” ACS CATALYSIS 14 (3): 1311–1323. doi:10.1021/acscatal.3c05563.
Vancouver
1.
Das SK, D’ooghe L, Nadadur Veeraraghavan Srinath, Theofanidis S-A, Longo A, Sahle C, et al. Evolution of low Z-elements in a Ni/MgFeAlO 4 catalyst during reaction : insight from in situ XRS. ACS CATALYSIS. 2024;14(3):1311–23.
IEEE
[1]
S. K. Das et al., “Evolution of low Z-elements in a Ni/MgFeAlO 4 catalyst during reaction : insight from in situ XRS,” ACS CATALYSIS, vol. 14, no. 3, pp. 1311–1323, 2024.
@article{01HREKC8G70GWZZ9XMH7ZZ8T9A,
  abstract     = {{Ni/MgFeAlO4 displays promising activity and stability in the dry reforming of methane. In order to establish a correlation between its performance and structural changes, an in-depth analysis of the Ni/MgFeAlO4 catalyst's constituent elements is conducted using in situ techniques, specifically combined X-ray emission spectroscopy (XES) and X-ray Raman scattering (XRS) spectroscopy. This investigation spans sequential treatments involving H-2 reduction, CO2 reoxidation, and methane dry reforming. XES valence-to-core signals for Fe and Ni retrace the applied treatments. After the reaction, Ni is fully metallic, while Fe shows a mixed metal-oxide state. Comparing these XES spectroscopic data with ab initio simulations indicates that dry reforming of methane does not form metal carbide. C K-edge XRS data recorded after the reaction do not protrude above the noise, proving the capability of the Ni/MgFeAlO4 catalyst to mitigate carbon deposition. O K-edge spectra exhibit variations corresponding to each treatment, effectively replicated through simulations with semiempirical screening parameters. These parameters represent electron transfer between oxygen and neighboring 3d transition metal elements and offer insights into the acid-base properties of the material. Furthermore, the Al L-2,L-3-edge spectra provide valuable information about the impact of treatments on the spinel arrangement, indicating an increasing tetrahedral occupancy of Al3+ in the support. By employing a comprehensive approach that combines XRS with XES, this study provides a holistic understanding of the evolution of low Z-elements, O and Al, alongside Fe and Ni, in the Ni/MgFeAlO4 catalyst throughout the reduction, reoxidation, and methane dry reforming processes.}},
  author       = {{Das, Soumya Kumar and D'ooghe, Lennert and Nadadur Veeraraghavan Srinath and Theofanidis, Stavros-Alexandros and Longo, Alessandro and Sahle, Christoph and Van Geem, Kevin and Poelman, Hilde and Poelman, Dirk and Galvita, Vladimir}},
  issn         = {{2155-5435}},
  journal      = {{ACS CATALYSIS}},
  keywords     = {{Catalysis,General Chemistry,X-ray Raman scattering,methane dry reforming,CO reoxidation,X-ray,emissionspectroscopy,Ni/MgFeAlO4catalyst,RAY RAMAN-SCATTERING,CO PRODUCTION,NI CATALYSTS,METHANE,SPECTROSCOPY,STABILITY,FE2O3-MGAL2O4,SPECTROMETER,OXIDATION,ID20}},
  language     = {{eng}},
  number       = {{3}},
  pages        = {{1311--1323}},
  title        = {{Evolution of low Z-elements in a Ni/MgFeAlO 4 catalyst during reaction : insight from in situ XRS}},
  url          = {{http://doi.org/10.1021/acscatal.3c05563}},
  volume       = {{14}},
  year         = {{2024}},
}
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