A reinvestigation of Na2Fe2(C2O4)3·2H2O: an iron-based positive electrode for secondary batteries

Wenjiao Yao; Moulay-Tahar Sougrati; Khang Hoang; Jianing Hui; Philip Lightfoot; A. Robert Armstrong

doi:10.1021/acs.chemmater.7b02764

A reinvestigation of Na₂Fe₂(C₂O₄)_3·2H₂O: an iron-based positive electrode for secondary batteries

Wenjiao Yao
, Moulay-Tahar Sougrati
, Khang Hoang
, Jianing Hui
, Philip Lightfoot
, A. Robert Armstrong

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

Abstract

We have reinvestigated the polyanionic compound Na₂Fe₂(C₂O₄)₃·2H₂O, previously reported to be electrochemically inactive in lithium-ion batteries (LIBs), as a positive electrode for sodium-ion batteries (NIBs). The present study demonstrates that it is capable of delivering a reversible capacity close to its theoretical value (117 mAhg^–1) with three redox plateaus at 2.9, 3.3 and 3.6 V vs. Na/Na⁺ in the potential range 1.7–4.2 V. The obtained energy density of 326 WhKg^–1 is among the highest of all reported polyanionic cathodes in NIBs. The origin of the electrochemical activity can be traced back to the electronic structure of the compound and the low migration energy barrier of the alkali ion observed in first-principles density-functional theory calculations.

Original language	English
Pages (from-to)	9095-9101
Journal	Chemistry of Materials
Volume	29
Issue number	21
Early online date	4 Oct 2017
DOIs	https://doi.org/10.1021/acs.chemmater.7b02764
Publication status	Published - 14 Nov 2017

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Copyright © 2017 American Chemical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created accepted version manuscript following peer review and as such may differ slightly from the final published version. The final published version of this work is available at: https://doi.org/10.1021/acs.chemmater.7b02764
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Design & synthesis of new fluoride: Design and synthesis of new fluoride cathode materials for solid-state batteries
Lightfoot, P. (PI)
The Royal Society
1/02/15 → 31/01/17
Project: Fellowship

Data underpinning article ""A reinvestigation of Na2Fe2(C2O4)3.2H2O: an iron-based positive electrode for secondary batteries"
Lightfoot, P. (Creator), Yao, W. (Creator), Sougrati, M.-T. (Creator), Hoang, K. (Creator), Hui, J. (Creator) & Armstrong, A. R. (Creator), University of St Andrews, 16 Oct 2017
DOI: 10.17630/61a92a73-3cb6-4008-9bb4-904ea63dd6e5
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Cite this

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title = "A reinvestigation of Na2Fe2(C2O4)3·2H2O: an iron-based positive electrode for secondary batteries",

abstract = "We have reinvestigated the polyanionic compound Na2Fe2(C2O4)3·2H2O, previously reported to be electrochemically inactive in lithium-ion batteries (LIBs), as a positive electrode for sodium-ion batteries (NIBs). The present study demonstrates that it is capable of delivering a reversible capacity close to its theoretical value (117 mAhg–1) with three redox plateaus at 2.9, 3.3 and 3.6 V vs. Na/Na+ in the potential range 1.7–4.2 V. The obtained energy density of 326 WhKg–1 is among the highest of all reported polyanionic cathodes in NIBs. The origin of the electrochemical activity can be traced back to the electronic structure of the compound and the low migration energy barrier of the alkali ion observed in first-principles density-functional theory calculations.",

author = "Wenjiao Yao and Moulay-Tahar Sougrati and Khang Hoang and Jianing Hui and Philip Lightfoot and Armstrong, \{A. Robert\}",

note = "W. Y. thanks the Royal Society for the award of a Newton International Fellowship (140881). ",

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T1 - A reinvestigation of Na2Fe2(C2O4)3·2H2O: an iron-based positive electrode for secondary batteries

AU - Yao, Wenjiao

AU - Sougrati, Moulay-Tahar

AU - Hoang, Khang

AU - Hui, Jianing

AU - Lightfoot, Philip

AU - Armstrong, A. Robert

N1 - W. Y. thanks the Royal Society for the award of a Newton International Fellowship (140881).

PY - 2017/11/14

Y1 - 2017/11/14

N2 - We have reinvestigated the polyanionic compound Na2Fe2(C2O4)3·2H2O, previously reported to be electrochemically inactive in lithium-ion batteries (LIBs), as a positive electrode for sodium-ion batteries (NIBs). The present study demonstrates that it is capable of delivering a reversible capacity close to its theoretical value (117 mAhg–1) with three redox plateaus at 2.9, 3.3 and 3.6 V vs. Na/Na+ in the potential range 1.7–4.2 V. The obtained energy density of 326 WhKg–1 is among the highest of all reported polyanionic cathodes in NIBs. The origin of the electrochemical activity can be traced back to the electronic structure of the compound and the low migration energy barrier of the alkali ion observed in first-principles density-functional theory calculations.

AB - We have reinvestigated the polyanionic compound Na2Fe2(C2O4)3·2H2O, previously reported to be electrochemically inactive in lithium-ion batteries (LIBs), as a positive electrode for sodium-ion batteries (NIBs). The present study demonstrates that it is capable of delivering a reversible capacity close to its theoretical value (117 mAhg–1) with three redox plateaus at 2.9, 3.3 and 3.6 V vs. Na/Na+ in the potential range 1.7–4.2 V. The obtained energy density of 326 WhKg–1 is among the highest of all reported polyanionic cathodes in NIBs. The origin of the electrochemical activity can be traced back to the electronic structure of the compound and the low migration energy barrier of the alkali ion observed in first-principles density-functional theory calculations.

U2 - 10.1021/acs.chemmater.7b02764

DO - 10.1021/acs.chemmater.7b02764

M3 - Article

SN - 0897-4756

VL - 29

SP - 9095

EP - 9101

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 21

ER -

A reinvestigation of Na2Fe2(C2O4)3·2H2O: an iron-based positive electrode for secondary batteries

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Design & synthesis of new fluoride: Design and synthesis of new fluoride cathode materials for solid-state batteries

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Data underpinning article ""A reinvestigation of Na2Fe2(C2O4)3.2H2O: an iron-based positive electrode for secondary batteries"

Cite this

A reinvestigation of Na₂Fe₂(C₂O₄)_3·2H₂O: an iron-based positive electrode for secondary batteries