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Unveiling a high capacity multi-redox (Nb5+/Nb4+/Nb3+) NASICON-Nb2(PO4)3 anode for Li- and Na-ion batteries

Patra, B and Kumar, K and Deb, D and Ghosh, S and Gautam, GS and Senguttuvan, P (2023) Unveiling a high capacity multi-redox (Nb5+/Nb4+/Nb3+) NASICON-Nb2(PO4)3 anode for Li- and Na-ion batteries. In: Journal of Materials Chemistry A, 11 (15). pp. 8173-8183.

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Official URL: https://doi.org/10.1039/d2ta05971a


Sodium superionic conductor (NASICON)-type materials are widely explored as Li- and Na-ion cathodes and solid-state electrolytes but are largely ignored as anodes due to their lower capacities and higher intercalation voltages, which reduce the overall energy densities of Li- and Na-ion batteries (LIBs and SIBs). Herein, we unveil high capacity multi-redox empty NASICON-Nb2(PO4)3 as a potential anode material for LIBs and SIBs, which reversibly delivers 167 and 150 mA h g−1 at the average voltages of 1.86 V vs. Li+/Li0 and 1.46 V vs. Na+/Na0, respectively. The Li and Na intercalation reactions proceed via multiple phase transitions, leading to short-range ordered Li3Nb2(PO4)3 and triclinic (P1̄) Na3Nb2(PO4)3, as revealed by in situ X-ray diffraction studies. Our density functional theory calculations are also in agreement with the in situ measurements in predicting a stable Na3Nb2(PO4)3 composition in the Na-Nb2(PO4)3 pseudo-binary system. X-ray absorption spectroscopy confirms the participation of multi-redox Nb5+/Nb4+/Nb3+ couples. The Nb2(PO4)3 anode delivers capacities greater than 124 and 106 mA h g−1 at 1C rate in Li and Na cells, respectively. Pairing Nb2(PO4)3 with suitable cathodes and electrolytes can lead to high energy density batteries.

Item Type: Journal Article
Publication: Journal of Materials Chemistry A
Publisher: Royal Society of Chemistry
Additional Information: The copyright for this article belongs to Royal Society of Chemistry.
Keywords: Anodes; Cathodes; Density functional theory; Ions; Lithium; Sodium compounds; Sodium-ion batteries; Solid electrolytes; Solid-State Batteries; X ray absorption spectroscopy, Anode material; Energy density; High capacity; High-capacity; Intercalation voltages; Na+ ions; Na-ion batteries; NASICON type; Solid-state electrolyte; Super ionic conductors, Niobium compounds
Department/Centre: Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 23 May 2023 03:36
Last Modified: 23 May 2023 03:36
URI: https://eprints.iisc.ac.in/id/eprint/81564

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