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

Abstract

Abstract Simultaneous operando Nuclear Forward Scattering and transmission X‐ray diffraction and 57 Fe Mössbauer spectroscopy measurements were carried out in order to investigate the electrochemical mechanism of NaFeO 2 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 NaFeO 2 . 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.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3];  [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [4]
  1. CIC Energigune, Miñano (Spain); Delft Univ. of Technology (Netherlands); Alistore European Research Institute, Amiens (France)
  2. European Synchrotron Radiation Facility (ESRF), Grenoble (France)
  3. Univ. Liège (Belgium); Forschungszentrum Jülich GmbH (Germany)
  4. Univ. Montpellier (France); Reseau sur le Stockage Electrochimique de l’Energie (RS2E), Amiens (France)
  5. Forschungszentrum Jülich GmbH (Germany); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  6. Alistore European Research Institute, Amiens (France); Univ. Montpellier (France); Reseau sur le Stockage Electrochimique de l’Energie (RS2E), Amiens (France)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
Alistore-European Research Institute; Ministerio de Ciencia e Innovación; RS2E; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; USDOE
OSTI Identifier:
1775237
Alternate Identifier(s):
OSTI ID: 1804568
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Batteries & Supercaps
Additional Journal Information:
Journal Volume: 3; Journal Issue: 12; Journal ID: ISSN 2566-6223
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Fehse, Marcus, Bessas, Dimitrios, Mahmoud, Abdelfattah, Diatta, Aliou, Hermann, Raphael P., Stievano, Lorenzo, and Sougrati, Moulay Tahar. The Fe4+/3+ Redox Mechanism in NaFeO2: A Simultaneous Operando Nuclear Resonance and X-ray Scattering Study. United States: N. p., 2020. Web. doi:10.1002/batt.202000157.
Fehse, Marcus, Bessas, Dimitrios, Mahmoud, Abdelfattah, Diatta, Aliou, Hermann, Raphael P., Stievano, Lorenzo, & Sougrati, Moulay Tahar. The Fe4+/3+ Redox Mechanism in NaFeO2: A Simultaneous Operando Nuclear Resonance and X-ray Scattering Study. United States. https://doi.org/10.1002/batt.202000157
Fehse, Marcus, Bessas, Dimitrios, Mahmoud, Abdelfattah, Diatta, Aliou, Hermann, Raphael P., Stievano, Lorenzo, and Sougrati, Moulay Tahar. Wed . "The Fe4+/3+ Redox Mechanism in NaFeO2: A Simultaneous Operando Nuclear Resonance and X-ray Scattering Study". United States. https://doi.org/10.1002/batt.202000157. https://www.osti.gov/servlets/purl/1775237.
@article{osti_1775237,
title = {The Fe4+/3+ Redox Mechanism in NaFeO2: A Simultaneous Operando Nuclear Resonance and X-ray Scattering Study},
author = {Fehse, Marcus and Bessas, Dimitrios and Mahmoud, Abdelfattah and Diatta, Aliou and Hermann, Raphael P. and Stievano, Lorenzo and Sougrati, Moulay Tahar},
abstractNote = {Abstract Simultaneous operando Nuclear Forward Scattering and transmission X‐ray diffraction and 57 Fe Mössbauer spectroscopy measurements were carried out in order to investigate the electrochemical mechanism of NaFeO 2 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 NaFeO 2 . 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.},
doi = {10.1002/batt.202000157},
journal = {Batteries & Supercaps},
number = 12,
volume = 3,
place = {United States},
year = {Wed Aug 05 00:00:00 EDT 2020},
month = {Wed Aug 05 00:00:00 EDT 2020}
}

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