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:
-
- CIC Energigune, Miñano (Spain); Delft Univ. of Technology (Netherlands); Alistore European Research Institute, Amiens (France)
- European Synchrotron Radiation Facility (ESRF), Grenoble (France)
- Univ. Liège (Belgium); Forschungszentrum Jülich GmbH (Germany)
- Univ. Montpellier (France); Reseau sur le Stockage Electrochimique de l’Energie (RS2E), Amiens (France)
- Forschungszentrum Jülich GmbH (Germany); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- 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}
}
Works referenced in this record:
On the LiCo2/3Ni1/6Mn1/6O2 positive electrode material
journal, April 2011
- Mahmoud, Abdelfattah; Saadoune, Ismael; Amarilla, José Manuel
- Electrochimica Acta, Vol. 56, Issue 11
Nuclear Resonance Beamline at ESRF
journal, December 1996
- Rüffer, Rudolf; Chumakov, Aleksandr I.
- Hyperfine Interactions, Vol. 97-98, Issue 1
Applying chemometrics to study battery materials: Towards the comprehensive analysis of complex operando datasets
journal, March 2019
- Fehse, Marcus; Iadecola, Antonella; Sougrati, Moulay Tahar
- Energy Storage Materials, Vol. 18
Electrochemistry and Solid‐State Chemistry of NaMeO 2 (Me = 3d Transition Metals)
journal, June 2018
- Kubota, Kei; Kumakura, Shinichi; Yoda, Yusuke
- Advanced Energy Materials, Vol. 8, Issue 17
Iron migration and oxygen oxidation during sodium extraction from NaFeO2
journal, May 2018
- Li, Yejing; Gao, Yurui; Wang, Xuefeng
- Nano Energy, Vol. 47
Sodium deintercalation from sodium iron oxide
journal, June 1994
- Takeda, Yasuo; Nakahara, Kazuaki; Nishijima, Motoaki
- Materials Research Bulletin, Vol. 29, Issue 6
The Electrochemical Sodiation of FeSb 2 : New Insights from Operando 57 Fe Synchrotron Mössbauer and X-Ray Absorption Spectroscopy
journal, October 2018
- Fehse, Marcus; Bessas, Dimitrios; Darwiche, Ali
- Batteries & Supercaps, Vol. 2, Issue 1
An Electrochemical Cell for Operando Study of Lithium Batteries Using Synchrotron Radiation
journal, January 2010
- Leriche, J. B.; Hamelet, S.; Shu, J.
- Journal of The Electrochemical Society, Vol. 157, Issue 5
Nuclear forward scattering by the 68.7 keV state of 73 Ge in CaGeO 3 and GeO 2
journal, October 2013
- Simon, R. E.; Sergueev, I.; Persson, J.
- EPL (Europhysics Letters), Vol. 104, Issue 1
Electrochemical and Thermal Properties of α-NaFeO 2 Cathode for Na-Ion Batteries
journal, January 2013
- Zhao, Jie; Zhao, Liwei; Dimov, Nikolay
- Journal of The Electrochemical Society, Vol. 160, Issue 5
Observation of electrochemically active Fe 3+ /Fe 4+ in LiCo 0.8 Fe 0.2 MnO 4 by in situ Mössbauer spectroscopy and X-ray absorption spectroscopy
journal, January 2019
- Dräger, Christoph; Sigel, Florian; Witte, Ralf
- Physical Chemistry Chemical Physics, Vol. 21, Issue 1
Anionic Redox Activity as a Key Factor in the Performance Degradation of NaFeO 2 Cathodes for Sodium Ion Batteries
journal, May 2019
- Susanto, Dieky; Cho, Min Kyung; Ali, Ghulam
- Chemistry of Materials, Vol. 31, Issue 10
Crystal Structures and Electrode Performance of Alpha-NaFeO2 for Rechargeable Sodium Batteries
journal, January 2012
- Yabuuchi, Naoaki; Yoshida, Hiroaki; Komaba, Shinichi
- Electrochemistry, Vol. 80, Issue 10
New Insights into the Performance Degradation of Fe-Based Layered Oxides in Sodium-Ion Batteries: Instability of Fe 3+ /Fe 4+ Redox in α-NaFeO 2
journal, September 2015
- Lee, Eungje; Brown, Dennis E.; Alp, Esen E.
- Chemistry of Materials, Vol. 27, Issue 19
Whole powder pattern decomposition methods and applications: A retrospection
journal, December 2005
- Le Bail, Armel
- Powder Diffraction, Vol. 20, Issue 4
-Ray Wavelength Standard for Atomic Scales
journal, July 2000
- Shvyd'ko, Yu. V.; Lerche, M.; Jäschke, J.
- Physical Review Letters, Vol. 85, Issue 3
MAXIPIX, a fast readout photon-counting X-ray area detector for synchrotron applications
journal, January 2011
- Ponchut, C.; Rigal, J. M.; Clément, J.
- Journal of Instrumentation, Vol. 6, Issue 01
Mössbauer spectroscopy using synchrotron radiation
journal, February 1991
- Hastings, J. B.; Siddons, D. P.; van Bürck, U.
- Physical Review Letters, Vol. 66, Issue 6
Pursuit of Sustainable Iron-Based Sodium Battery Cathodes: Two Case Studies
journal, February 2016
- Barpanda, Prabeer
- Chemistry of Materials, Vol. 28, Issue 4
Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries
journal, September 2016
- Li, Xin; Wang, Yan; Wu, Di
- Chemistry of Materials, Vol. 28, Issue 18
On the dynamics of transition metal migration and its impact on the performance of layered oxides for sodium-ion batteries: NaFeO 2 as a case study
journal, January 2018
- Silván, Begoña; Gonzalo, Elena; Djuandhi, Lisa
- Journal of Materials Chemistry A, Vol. 6, Issue 31
Understanding the Structural Evolution and Redox Mechanism of a NaFeO 2 -NaCoO 2 Solid Solution for Sodium-Ion Batteries
journal, June 2016
- Kubota, Kei; Asari, Takuya; Yoshida, Hiroaki
- Advanced Functional Materials, Vol. 26, Issue 33