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journal article·2020-12Open access

The Fe4+/3+ Redox Mechanism in NaFeO2: A Simultaneous Operando Nuclear Resonance and X‐ray Scattering Study

Marcus Fehse, Dimitrios Bessas, Abdelfattah Mahmoud, Aliou Diatta, Raphael P. Hermann, Lorenzo Stievano, Moulay Tahar Sougrati

Batteries & Supercaps· Volume 3· Issue 12
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Abstract

Abstract Simultaneous operando Nuclear Forward Scattering and transmission X‐ray diffraction and 57Fe Mössbauer spectroscopy measurements were carried out in order to investigate the electrochemical mechanism of NaFeO2 vs. Na metal using a specifically designed in situ cell. The obtained data were analysed using an alternative and innovative data analysis approach based on chemometric tools such as Principal Component Analysis (PCA) and Multivariate Curve Resolution ‐ Alternating Least Squares (MCR‐ALS). This approach, which allows the unbiased extraction of all possible information from the operando data, enabled the stepwise reconstruction of the independent “real” components permitting the description of the desodiation mechanism of NaFeO2. This wealth of information allows a clear description of the electrochemical reaction at the redox‐active iron centres, and thus an improved comprehension of the cycling mechanisms of this material vs. sodium.
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Research context

OpenAlex topics: X-ray Diffraction in Crystallography · Crystallography and Radiation Phenomena · Nuclear materials and radiation effects

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

CIC Energigune, Parque Tecnológico de Álava Albert Einstein 48, ED. CIC 01510 Miñano Spain

Faculty of Applied Sciences Delft University of Technology Delft Netherlands

Alistore European Research Institute, CNRS Amiens France

ESRF-The European Synchrotron Grenoble France

Unit of Inorganic Materials Chemistry (GREENMAT/LCIS) Univ. Liège Liège Belgium

Jülich Centre for Neutron Science JCNS and Peter Grünberg Institut PGI JARA-FIT Forschungszentrum Jülich GmbH Jülich Germany

ICGM Univ. Montpellier, ENSCM, CNRS Montpellier France

Reseau sur le Stockage Electrochimique de l'Energie (RS2E), CNRS Amiens France.

Material Science and Technology Division Oak Ridge National Laboratory Oak Ridge USA

Funding

Oak Ridge National Laboratory · U.S. Department of Energy

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