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

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

doi:10.1002/batt.202000157

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

Journal Article · Wed Aug 05 00:00:00 EDT 2020 · Batteries & Supercaps

DOI:https://doi.org/10.1002/batt.202000157· OSTI ID:1775237

^[1];

^[2]; Mahmoud, Abdelfattah ^[3]; Diatta, Aliou ^[4];

^[5];

^[6];

^[4]

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)

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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: 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

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1775237

Alternate ID(s):: OSTI ID: 1804568

Journal Information:: Batteries & Supercaps, Vol. 3, Issue 12; ISSN 2566-6223

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

References (22)

On the LiCo2/3Ni1/6Mn1/6O2 positive electrode material Mahmoud, Abdelfattah; Saadoune, Ismael; Amarilla, José Manuel Electrochimica Acta, Vol. 56, Issue 11 https://doi.org/10.1016/j.electacta.2011.01.118	journal	April 2011
Nuclear Resonance Beamline at ESRF Rüffer, Rudolf; Chumakov, Aleksandr I. Hyperfine Interactions, Vol. 97-98, Issue 1 https://doi.org/10.1007/BF02150199	journal	December 1996
Applying chemometrics to study battery materials: Towards the comprehensive analysis of complex operando datasets Fehse, Marcus; Iadecola, Antonella; Sougrati, Moulay Tahar Energy Storage Materials, Vol. 18 https://doi.org/10.1016/j.ensm.2019.02.002	journal	March 2019
Electrochemistry and Solid‐State Chemistry of NaMeO ₂ (Me = 3d Transition Metals) Kubota, Kei; Kumakura, Shinichi; Yoda, Yusuke Advanced Energy Materials, Vol. 8, Issue 17 https://doi.org/10.1002/aenm.201703415	journal	June 2018
Iron migration and oxygen oxidation during sodium extraction from NaFeO2 Li, Yejing; Gao, Yurui; Wang, Xuefeng Nano Energy, Vol. 47 https://doi.org/10.1016/j.nanoen.2018.03.007	journal	May 2018
Sodium deintercalation from sodium iron oxide Takeda, Yasuo; Nakahara, Kazuaki; Nishijima, Motoaki Materials Research Bulletin, Vol. 29, Issue 6 https://doi.org/10.1016/0025-5408(94)90122-8	journal	June 1994
The Electrochemical Sodiation of FeSb ₂ : New Insights from Operando ⁵⁷ Fe Synchrotron Mössbauer and X-Ray Absorption Spectroscopy Fehse, Marcus; Bessas, Dimitrios; Darwiche, Ali Batteries & Supercaps, Vol. 2, Issue 1 https://doi.org/10.1002/batt.201800075	journal	October 2018
An Electrochemical Cell for Operando Study of Lithium Batteries Using Synchrotron Radiation Leriche, J. B.; Hamelet, S.; Shu, J. Journal of The Electrochemical Society, Vol. 157, Issue 5 https://doi.org/10.1149/1.3355977	journal	January 2010
Nuclear forward scattering by the 68.7 keV state of ⁷³ Ge in CaGeO ₃ and GeO ₂ Simon, R. E.; Sergueev, I.; Persson, J. EPL (Europhysics Letters), Vol. 104, Issue 1 https://doi.org/10.1209/0295-5075/104/17006	journal	October 2013
Electrochemical and Thermal Properties of α-NaFeO ₂ Cathode for Na-Ion Batteries Zhao, Jie; Zhao, Liwei; Dimov, Nikolay Journal of The Electrochemical Society, Vol. 160, Issue 5 https://doi.org/10.1149/2.007305jes	journal	January 2013
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 Dräger, Christoph; Sigel, Florian; Witte, Ralf Physical Chemistry Chemical Physics, Vol. 21, Issue 1 https://doi.org/10.1039/C8CP06177G	journal	January 2019
Anionic Redox Activity as a Key Factor in the Performance Degradation of NaFeO ₂ Cathodes for Sodium Ion Batteries Susanto, Dieky; Cho, Min Kyung; Ali, Ghulam Chemistry of Materials, Vol. 31, Issue 10 https://doi.org/10.1021/acs.chemmater.9b00149	journal	May 2019
Crystal Structures and Electrode Performance of Alpha-NaFeO2 for Rechargeable Sodium Batteries Yabuuchi, Naoaki; Yoshida, Hiroaki; Komaba, Shinichi Electrochemistry, Vol. 80, Issue 10 https://doi.org/10.5796/electrochemistry.80.716	journal	January 2012
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 Lee, Eungje; Brown, Dennis E.; Alp, Esen E. Chemistry of Materials, Vol. 27, Issue 19 https://doi.org/10.1021/acs.chemmater.5b02918	journal	September 2015
Whole powder pattern decomposition methods and applications: A retrospection Le Bail, Armel Powder Diffraction, Vol. 20, Issue 4 https://doi.org/10.1154/1.2135315	journal	December 2005
$γ$ -Ray Wavelength Standard for Atomic Scales Shvyd'ko, Yu. V.; Lerche, M.; Jäschke, J. Physical Review Letters, Vol. 85, Issue 3 https://doi.org/10.1103/PhysRevLett.85.495	journal	July 2000
MAXIPIX, a fast readout photon-counting X-ray area detector for synchrotron applications Ponchut, C.; Rigal, J. M.; Clément, J. Journal of Instrumentation, Vol. 6, Issue 01 https://doi.org/10.1088/1748-0221/6/01/C01069	journal	January 2011
Mössbauer spectroscopy using synchrotron radiation Hastings, J. B.; Siddons, D. P.; van Bürck, U. Physical Review Letters, Vol. 66, Issue 6 https://doi.org/10.1103/PhysRevLett.66.770	journal	February 1991
Pursuit of Sustainable Iron-Based Sodium Battery Cathodes: Two Case Studies Barpanda, Prabeer Chemistry of Materials, Vol. 28, Issue 4 https://doi.org/10.1021/acs.chemmater.5b03926	journal	February 2016
Jahn–Teller Assisted Na Diffusion for High Performance Na Ion Batteries Li, Xin; Wang, Yan; Wu, Di Chemistry of Materials, Vol. 28, Issue 18 https://doi.org/10.1021/acs.chemmater.6b02440	journal	September 2016
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 Silván, Begoña; Gonzalo, Elena; Djuandhi, Lisa Journal of Materials Chemistry A, Vol. 6, Issue 31 https://doi.org/10.1039/C8TA02473A	journal	January 2018
Understanding the Structural Evolution and Redox Mechanism of a NaFeO ₂ -NaCoO ₂ Solid Solution for Sodium-Ion Batteries Kubota, Kei; Asari, Takuya; Yoshida, Hiroaki Advanced Functional Materials, Vol. 26, Issue 33 https://doi.org/10.1002/adfm.201601292	journal	June 2016

Similar Records

The Electrochemical Sodiation of FeSb₂: New Insights from Operando ⁵⁷Fe Synchrotron Mössbauer and X-Ray Absorption Spectroscopy

Journal Article · Mon Sep 17 00:00:00 EDT 2018 · Batteries & Supercaps · OSTI ID:1775237

Fehse, Marcus; Bessas, Dimitrios; Darwiche, Ali; +8 more

The Electrochemical Sodiation of Sb Investigated by Operando X-ray Absorption and ¹²¹Sb Mössbauer Spectroscopy: What Does One Really Learn?

Journal Article · Wed May 30 00:00:00 EDT 2018 · Batteries · OSTI ID:1775237

Darwiche, Ali; Fehse, Marcus; Mahmoud, Abdelfattah; +8 more

Operando structural and chemical evolutions of TiS₂ in Na-ion batteries

Journal Article · Tue Apr 14 00:00:00 EDT 2020 · Journal of Materials Chemistry. A · OSTI ID:1775237

Lin, Cheng-Hung; Topsakal, Mehmet; Sun, Ke; +8 more

Related Subjects

25 ENERGY STORAGE

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

Citation Formats

References (22)

Similar Records

Related Subjects

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