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Cubic Sodium Cobalt Metaphosphate NaCo(PO3)(3)] as a Cathode Material for Sodium Ion Batteries

Gond, Ritambhara and Rao, Rayavapuru Prasada and Pralong, Valerie and Lebedev, Oleg I and Adams, Stefan and Barpanda, Prabeer (2018) Cubic Sodium Cobalt Metaphosphate NaCo(PO3)(3)] as a Cathode Material for Sodium Ion Batteries. In: INORGANIC CHEMISTRY, 57 (11). pp. 6324-6332.

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Official URL: https://dx.doi.org/ 10.1021/acs.inorgchem.8b00291

Abstract

Cubic-framework sodium cobalt-based metaphosphate NaCo(PO3)(3) was recently demonstrated to be an attractive Nat cationic conductor. It can be potentially used in the next-generation rechargeable Na ion batteries. The crystal structure and electrical conductivity were studied and found to have a three-dimensional framework with interconnecting tunnels for Nat migration (J. Solid State Electrochem., 2016, 20, 1241). This inspired us to study the electrochemical (de)intercalation behavior of Nat in the NaCo(PO3)(3) assuming a cubic Pa3 framework. Herein, synergizing experimental and computational tools, we present the first report on the electrochemical activity and Nat diffusion pathway analysis of cubic NaCo(PO3)(3) prepared via conventional solid-state route. The electrochemical analyses reveal NaCo(PO3)(3) to be an active sodium insertion material with well-defined reversible Co3+/Co(2)t redox activity centered at 3.3 V (vs Na/Nat). Involving a solid-solution redox mechanism, close to 0.7 Nat per formula unit can be reversibly extracted. This experimental finding is augmented with bond valence site energy (BVSE) modeling to clarify Nat migration in cubic NaCo(PO3)(3). BVSE analyses suggest feasible Nat migration with moderate energy barrier of 0.68 eV. Cubic NaCo(PO3)(3) forms a 3.3 V sodium insertion material.

Item Type: Journal Article
Additional Information: Copyright of this article belong to AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Depositing User: Id for Latest eprints
Date Deposited: 25 Jul 2018 15:28
Last Modified: 25 Jul 2018 15:28
URI: http://eprints.iisc.ac.in/id/eprint/60298

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