Neutron diffraction studies of the Na-ion battery electrode materials NaCoCr2(PO4)3, NaNiCr2(PO4)3, and Na2Ni2Cr(PO4)3
- Authors
- Ben Yahia, H.; Essehli, R.; Avdeev, M.; Park, J-B.; Sun, Y-K.; Al-Maadeed, M. A.; Belharouak, I.
- Issue Date
- Jun-2016
- Publisher
- ACADEMIC PRESS INC ELSEVIER SCIENCE
- Keywords
- Synthesis; Crystal structure; Neutron diffraction; Anode; Sodium-ion battery
- Citation
- JOURNAL OF SOLID STATE CHEMISTRY, v.238, pp.103 - 108
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF SOLID STATE CHEMISTRY
- Volume
- 238
- Start Page
- 103
- End Page
- 108
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/5576
- DOI
- 10.1016/j.jssc.2016.03.011
- ISSN
- 0022-4596
- 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.
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