Alluaudite Na2Co2 Fe(PO4)3 as an electroactive material for sodium ion batteries

Essehli, R.; Belharouak, I.; Ben Yahia, H.; Maher, K.; Abouimrane, A.; Orayech, B.; Calder, S.; Zhou, X. L.; Zhou, Z.; Sun, Y-K.

doi:10.1039/C5DT00971E

Title: Alluaudite Na₂Co₂ Fe(PO₄)₃ as an electroactive material for sodium ion batteries

Journal Article · 23 March 2015 · Dalton Transactions

DOI: https://doi.org/10.1039/C5DT00971E · OSTI ID:1338506

Essehli, R. ^[1]; Belharouak, I. ^[1]; Ben Yahia, H. ^[1]; Maher, K. ^[1]; Abouimrane, A. ^[1]; Orayech, B. ^[2]; Calder, S. ^[3]; Zhou, X. L. ^[4];

^[4]; Sun, Y-K. ^[5]

Qatar Foundation, Doha (Qatar). Qatar Environment and Energy Research Inst.
Univ. del País Vasco, Bilbao (Spain). Dept. de Física de la Materia Condensada
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
Nankai Univ., Tianjin (China). Inst. of New Energy Material Chemistry
Hanyang Univ., Seongdong-gu, Seoul (Korea). Dept. of Energy Engineering

The electroactive orthophosphate Na₂Co₂Fe(PO₄)₃ was synthesized using a solid state reaction. Its crystal structure was solved using the combination of powder X-ray-and neutron-diffraction data. This material crystallizes according to the alluaudite structure (S.G. C2/c). The structure consists of edge sharing [MO₆] octahedra (M = Fe, Co) resulting in chains parallel to [-101]. These chains are linked together via the [PO₄] tetrahedra to form two distinct tunnels in which sodium cations are located. The electrochemical properties of Na₂Co₂Fe(PO₄)₃ were evaluated by galvanostatic charge-discharge cycling. During the first discharge to 0.03 V, Na₂Co₂Fe(PO₄)₃ delivers a specific capacity of 604 mA h g^(-1). This capacity is equivalent to the reaction of more than seven sodium ions per formula unit. Hence, this is a strong indication of a conversion-type reaction with the formation of metallic Fe and Co. The subsequent charge and discharge involved the reaction of fewer Na ions as expected for a conversion reaction. When discharged to 0.9 V, the material intercalated only one Na+-ion leading to the formation of a new phase Na₃Co₂Fe(PO₄)₃. This phase could then be cycled reversibly with an average voltage of 3.6 V vs. Na+/Na and a capacity of 110 mA h g^(-1). This result is in good agreement with the theoretical capacity expected from the extraction/insertion of two sodium atoms in Na₂Co₂Fe(PO₄)₃.

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

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1338506

Journal Information:: Dalton Transactions, Vol. 44, Issue 17; ISSN 1477-9226

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 47 works

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