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Revisiting the layered Na3Fe3(PO4)(4) phosphate sodium insertion compound: structure, magnetic and electrochemical study

Shinde, Ganesh S and Gond, Ritambhara and Avdeev, Maxim and Ling, Chris D and Rao, Rayavarapu Prasada and Adams, Stefan and Barpanda, Prabeer (2020) Revisiting the layered Na3Fe3(PO4)(4) phosphate sodium insertion compound: structure, magnetic and electrochemical study. In: MATERIALS RESEARCH EXPRESS, 7 (1).

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Official URL: https://doi.org/10.1088/2053-1591/ab54f4

Abstract

Layered sodium iron phosphate phase Na3Fe3(PO4)(4)] was synthesized by solution combustion synthesis method, marking the first attempt of solvothermal synthesis of this phase. Its crystal structure was verified by synchrotron and neutron powder diffraction. Rietveld analyses proved the phase purity and formation of monoclinic framework with C2/c symmetry. It undergoes an antiferromagnetic ordering ?27 K. This combustion prepared nanoscale Na3Fe3(PO4)(4) compound was found to be electrochemically active with a stepwise voltage profile involving an Fe3+/Fe2+ redox activity centred at 2.43 V vs. Na/Na+. Despite various cathode optimization, only 1.8 Na+ per formula unit could be reversibly inserted into the Na3Fe3(PO4)(4) framework leading to capacity close to 50 mAh g(?1). This limited electrochemical activity can be rooted to (i) relatively large diffusion barrier (ca. 0.28 eV) as per Bond valence site energy (BVSE) calculations and (ii) possible structural instability during (de)sodiation reaction.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to IOP PUBLISHING LTD
Keywords: Na-ion batteries; cathode; Na3Fe3(PO4)(4); layered structure; BVSE calculation
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Depositing User: Id for Latest eprints
Date Deposited: 09 Jan 2020 06:16
Last Modified: 09 Jan 2020 06:16
URI: http://eprints.iisc.ac.in/id/eprint/64082

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