KFe(C2O4)F: a fluoro-oxalate cathode material for Li/Na-ion batteries

Atin Pramanik; Alexis G. Manche; Megan T. Smeaton; Moulay-Tahar Sougrati; Philip Lightfoot; Anthony Robert Armstrong

doi:10.1002/celc.202300192

KFe(C₂O₄)F: a fluoro-oxalate cathode material for Li/Na-ion batteries

Atin Pramanik, Alexis G. Manche, Megan T. Smeaton, Moulay-Tahar Sougrati, Philip Lightfoot, Anthony Robert Armstrong^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

The iron-based polyanionic fluoro-oxalate material, KFe(C₂O₄)F (KFCF), has been synthesized by hydrothermal methods. This compound shows promising reversible lithium and sodium insertion properties as a cathode material. The material delivered a first-cycle discharge capacity of 120 mAh g^-1 at ∼3.3 V (Li⁺/Li) and 97.4 mAh g^-1 at ∼3.0 V (Na⁺/Na) in LIB and NIB, respectively. Stable cycling performance was observed in both cases. The involvement of reversible Fe²⁺/Fe³⁺ redox was confirmed by ex-situ Mössbauer spectroscopy supported by first-principles calculations. This study reveals promising performance from a mixed oxalate-fluoride based polyanionic material thereby opening up further possibilities for materials discovery in the design of new electrode materials.

Original language	English
Article number	e202300192
Number of pages	8
Journal	ChemElectroChem
Volume	10
Issue number	14
Early online date	26 Jun 2023
DOIs	https://doi.org/10.1002/celc.202300192
Publication status	Published - 17 Jul 2023

Keywords

Cathode materials
Electrochemistry
Na-ion/Li-ion
Oxalate
Rechargeable battery

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10.1002/celc.202300192Licence: CC BY

Pramanik-2023-KFeC2O4 F-ChemElectroChem-202300192-CCBY
Copyright © 2023 The Authors. ChemElectroChem published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Final published version, 1.83 MBLicence: CC BY

Cite this

@article{18ce43efe21f4e1b8d7bfc3b5261e046,

title = "KFe(C2O4)F: a fluoro-oxalate cathode material for Li/Na-ion batteries",

abstract = "The iron-based polyanionic fluoro-oxalate material, KFe(C2O4)F (KFCF), has been synthesized by hydrothermal methods. This compound shows promising reversible lithium and sodium insertion properties as a cathode material. The material delivered a first-cycle discharge capacity of 120 mAh g-1 at ∼3.3 V (Li+/Li) and 97.4 mAh g-1 at ∼3.0 V (Na+/Na) in LIB and NIB, respectively. Stable cycling performance was observed in both cases. The involvement of reversible Fe2+/Fe3+ redox was confirmed by ex-situ M{\"o}ssbauer spectroscopy supported by first-principles calculations. This study reveals promising performance from a mixed oxalate-fluoride based polyanionic material thereby opening up further possibilities for materials discovery in the design of new electrode materials.",

keywords = "Cathode materials, Electrochemistry, Na-ion/Li-ion, Oxalate, Rechargeable battery",

author = "Atin Pramanik and Manche, \{Alexis G.\} and Smeaton, \{Megan T.\} and Moulay-Tahar Sougrati and Philip Lightfoot and Armstrong, \{Anthony Robert\}",

note = "Funding: The authors want to thank EPSRC (EP/R030472/1) and the Faraday Institution (FIRG018) for their financial support. In addition, AGM wishes to thank the Faraday Institution for financial support and training (Grant number FITG033). The authors also thank EPSRC Light Element Analysis Facility Grant EP/T019298/1 and the EPSRC Strategic Equipment Resource Grant EP/R023751/1.",

year = "2023",

month = jul,

day = "17",

doi = "10.1002/celc.202300192",

language = "English",

volume = "10",

journal = "ChemElectroChem",

issn = "2196-0216",

publisher = "John Wiley \& Sons, Ltd",

number = "14",

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TY - JOUR

T1 - KFe(C2O4)F

T2 - a fluoro-oxalate cathode material for Li/Na-ion batteries

AU - Pramanik, Atin

AU - Manche, Alexis G.

AU - Smeaton, Megan T.

AU - Sougrati, Moulay-Tahar

AU - Lightfoot, Philip

AU - Armstrong, Anthony Robert

N1 - Funding: The authors want to thank EPSRC (EP/R030472/1) and the Faraday Institution (FIRG018) for their financial support. In addition, AGM wishes to thank the Faraday Institution for financial support and training (Grant number FITG033). The authors also thank EPSRC Light Element Analysis Facility Grant EP/T019298/1 and the EPSRC Strategic Equipment Resource Grant EP/R023751/1.

PY - 2023/7/17

Y1 - 2023/7/17

N2 - The iron-based polyanionic fluoro-oxalate material, KFe(C2O4)F (KFCF), has been synthesized by hydrothermal methods. This compound shows promising reversible lithium and sodium insertion properties as a cathode material. The material delivered a first-cycle discharge capacity of 120 mAh g-1 at ∼3.3 V (Li+/Li) and 97.4 mAh g-1 at ∼3.0 V (Na+/Na) in LIB and NIB, respectively. Stable cycling performance was observed in both cases. The involvement of reversible Fe2+/Fe3+ redox was confirmed by ex-situ Mössbauer spectroscopy supported by first-principles calculations. This study reveals promising performance from a mixed oxalate-fluoride based polyanionic material thereby opening up further possibilities for materials discovery in the design of new electrode materials.

AB - The iron-based polyanionic fluoro-oxalate material, KFe(C2O4)F (KFCF), has been synthesized by hydrothermal methods. This compound shows promising reversible lithium and sodium insertion properties as a cathode material. The material delivered a first-cycle discharge capacity of 120 mAh g-1 at ∼3.3 V (Li+/Li) and 97.4 mAh g-1 at ∼3.0 V (Na+/Na) in LIB and NIB, respectively. Stable cycling performance was observed in both cases. The involvement of reversible Fe2+/Fe3+ redox was confirmed by ex-situ Mössbauer spectroscopy supported by first-principles calculations. This study reveals promising performance from a mixed oxalate-fluoride based polyanionic material thereby opening up further possibilities for materials discovery in the design of new electrode materials.

KW - Cathode materials

KW - Electrochemistry

KW - Na-ion/Li-ion

KW - Oxalate

KW - Rechargeable battery

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DO - 10.1002/celc.202300192

M3 - Article

SN - 2196-0216

VL - 10

JO - ChemElectroChem

JF - ChemElectroChem

IS - 14

M1 - e202300192

ER -

KFe(C₂O₄)F: a fluoro-oxalate cathode material for Li/Na-ion batteries

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Light Element Analysis Facility (LEAF): Light Element Analysis Facility (LEAF)

Electon Microscopy: Electon Microscopy for the characterisation and manipulation of advanced function materials and their interfaces at the nanoscale

The challenge of polyanion redox in oxalates

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KFe(C2O4)F: a fluoro-oxalate cathode material for Li/Na-ion batteries

Abstract

Keywords

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Light Element Analysis Facility (LEAF): Light Element Analysis Facility (LEAF)

Electon Microscopy: Electon Microscopy for the characterisation and manipulation of advanced function materials and their interfaces at the nanoscale

Student theses

The challenge of polyanion redox in oxalates

Cite this

KFe(C₂O₄)F: a fluoro-oxalate cathode material for Li/Na-ion batteries