Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3

H. Ben Yahia; R. Essehli; M. Avdeev; J. B. Park; Y. K. Sun; M. A. Al-Maadeed; I. Belharouak

doi:10.1016/j.jssc.2016.03.011

Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr₂(PO₄)₃, NaNiCr₂(PO₄)₃, and Na₂Ni₂Cr(PO₄)₃

H. Ben Yahia, R. Essehli, M. Avdeev, J. B. Park, Y. K. Sun, M. A. Al-Maadeed, I. Belharouak

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

21 Scopus citations

Abstract

The new compounds NaCoCr₂(PO₄)₃, NaNiCr₂(PO₄)₃, and Na₂Ni₂Cr(PO₄)₃ were synthesized by sol-gel method and their crystal structures were determined by using neutron powder diffraction data. These compounds were characterized by galvanometric cycling and cyclic voltammetry. NaCoCr₂(PO₄)₃, NaNiCr₂(PO₄)₃, and Na₂Ni₂Cr(PO₄)₃ crystallize with a stuffed α-CrPO₄-type structure. The structure consists of a 3D-framework made of octahedra and tetrahedra that are sharing corners and/or edges generating channels along [100] and [010], in which the sodium atoms are located. Of significance, in the structures of NaNiCr₂(PO₄)₃, and Na₂Ni₂Cr(PO₄)₃ a statistical disorder Ni²⁺/Cr³⁺ was observed on both the 8g and 4a atomic positions, whereas in NaCoCr₂(PO₄)₃ the statistical disorder Co²⁺/Cr³⁺ was only observed on the 8g atomic position. When tested as negative electrode materials, NaCoCr₂(PO₄)₃, NaNiCr₂(PO₄)₃, and Na₂Ni₂Cr(PO₄)₃ delivered specific capacities of 352, 385, and 368 mA h g^-1, respectively, which attests to the electrochemical activity of sodium in these compounds.

Original language	English
Pages (from-to)	103-108
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	238
DOIs	https://doi.org/10.1016/j.jssc.2016.03.011
State	Published - Jun 2016
Externally published	Yes

Funding

The authors thank Qatar Foundation for the financial support allocated to the field of energy storage. They also thank the Center for Advanced Materials (CAM) in Qatar University for carrying out experiments.

Funders	Funder number
Qatar Foundation

Keywords

Anode
Crystal structure
Neutron diffraction
Sodium-ion battery
Synthesis

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/j.jssc.2016.03.011

Cite this

@article{98e02469df16475488abd273f658b68a,

title = "Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3",

abstract = "The new compounds NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 were synthesized by sol-gel method and their crystal structures were determined by using neutron powder diffraction data. These compounds were characterized by galvanometric cycling and cyclic voltammetry. NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 crystallize with a stuffed α-CrPO4-type structure. The structure consists of a 3D-framework made of octahedra and tetrahedra that are sharing corners and/or edges generating channels along [100] and [010], in which the sodium atoms are located. Of significance, in the structures of NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 a statistical disorder Ni2+/Cr3+ was observed on both the 8g and 4a atomic positions, whereas in NaCoCr2(PO4)3 the statistical disorder Co2+/Cr3+ was only observed on the 8g atomic position. When tested as negative electrode materials, NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 delivered specific capacities of 352, 385, and 368 mA h g-1, respectively, which attests to the electrochemical activity of sodium in these compounds.",

keywords = "Anode, Crystal structure, Neutron diffraction, Sodium-ion battery, Synthesis",

author = "Yahia, {H. Ben} and R. Essehli and M. Avdeev and Park, {J. B.} and Sun, {Y. K.} and Al-Maadeed, {M. A.} and I. Belharouak",

year = "2016",

month = jun,

doi = "10.1016/j.jssc.2016.03.011",

language = "English",

volume = "238",

pages = "103--108",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Elsevier",

}

TY - JOUR

T1 - Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3

AU - Yahia, H. Ben

AU - Essehli, R.

AU - Avdeev, M.

AU - Park, J. B.

AU - Sun, Y. K.

AU - Al-Maadeed, M. A.

AU - Belharouak, I.

PY - 2016/6

Y1 - 2016/6

N2 - The new compounds NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 were synthesized by sol-gel method and their crystal structures were determined by using neutron powder diffraction data. These compounds were characterized by galvanometric cycling and cyclic voltammetry. NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 crystallize with a stuffed α-CrPO4-type structure. The structure consists of a 3D-framework made of octahedra and tetrahedra that are sharing corners and/or edges generating channels along [100] and [010], in which the sodium atoms are located. Of significance, in the structures of NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 a statistical disorder Ni2+/Cr3+ was observed on both the 8g and 4a atomic positions, whereas in NaCoCr2(PO4)3 the statistical disorder Co2+/Cr3+ was only observed on the 8g atomic position. When tested as negative electrode materials, NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 delivered specific capacities of 352, 385, and 368 mA h g-1, respectively, which attests to the electrochemical activity of sodium in these compounds.

AB - The new compounds NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 were synthesized by sol-gel method and their crystal structures were determined by using neutron powder diffraction data. These compounds were characterized by galvanometric cycling and cyclic voltammetry. NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 crystallize with a stuffed α-CrPO4-type structure. The structure consists of a 3D-framework made of octahedra and tetrahedra that are sharing corners and/or edges generating channels along [100] and [010], in which the sodium atoms are located. Of significance, in the structures of NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 a statistical disorder Ni2+/Cr3+ was observed on both the 8g and 4a atomic positions, whereas in NaCoCr2(PO4)3 the statistical disorder Co2+/Cr3+ was only observed on the 8g atomic position. When tested as negative electrode materials, NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3 delivered specific capacities of 352, 385, and 368 mA h g-1, respectively, which attests to the electrochemical activity of sodium in these compounds.

KW - Anode

KW - Crystal structure

KW - Neutron diffraction

KW - Sodium-ion battery

KW - Synthesis

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DO - 10.1016/j.jssc.2016.03.011

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JO - Journal of Solid State Chemistry

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