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Unveiling a high capacity multi-redox (Nb5+/Nb4+/Nb3+) NASICON-Nb2(PO4)3 anode for Li- and Na-ion batteries
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2023-02-21 , DOI: 10.1039/d2ta05971a Biplab Patra 1 , Keshav Kumar 1 , Debolina Deb 2 , Subham Ghosh 1 , Gopalakrishnan Sai Gautam 2 , Premkumar Senguttuvan 1
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2023-02-21 , DOI: 10.1039/d2ta05971a Biplab Patra 1 , Keshav Kumar 1 , Debolina Deb 2 , Subham Ghosh 1 , Gopalakrishnan Sai Gautam 2 , Premkumar Senguttuvan 1
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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 (P![[1 with combining macron]](https://www.rsc.org/images/entities/char_0031_0304.gif)
) 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.
中文翻译：
推出用于锂离子和钠离子电池的高容量多氧化还原 (Nb5+/Nb4+/Nb3+) NASICON-Nb2(PO4)3 阳极
钠超离子导体 (NASICON) 型材料作为锂离子和钠离子正极和固态电解质被广泛探索，但由于其较低的容量和较高的嵌入电压而在很大程度上被忽略作为负极，这会降低锂离子的总能量密度。和钠离子电池（LIBs 和 SIBs）。在此，我们揭示了高容量多氧化还原空 NASICON-Nb 2 (PO 4 ) 3作为 LIB 和 SIB 的潜在阳极材料，它在 1.86 V相对于Li +的平均电压下可逆地提供 167 和 150 mA hg −1 /Li 0和 1.46 V对比Na + /Na 0， 分别。Li 和 Na 嵌入反应通过多个相变进行，导致短程有序 Li 3 Nb 2 (PO 4 ) 3和三斜 ( P ) Na 3 Nb 2 (PO 4 ) 3 ，如原位X 射线所示衍射研究。我们的密度泛函理论计算也与预测Na – Nb 2 ( PO 4) 3伪二进制。X 射线吸收光谱证实了多氧化还原 Nb 5+ /Nb 4+ /Nb 3+对的参与。Nb 2 (PO 4 ) 3阳极在 1C 速率下在 Li 和 Na 电池中分别提供大于 124 和 106 mA hg -1的容量。将 Nb 2 (PO 4 ) 3与合适的阴极和电解质配对可产生高能量密度电池。
更新日期：2023-02-21
) 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.
中文翻译：
推出用于锂离子和钠离子电池的高容量多氧化还原 (Nb5+/Nb4+/Nb3+) NASICON-Nb2(PO4)3 阳极
钠超离子导体 (NASICON) 型材料作为锂离子和钠离子正极和固态电解质被广泛探索，但由于其较低的容量和较高的嵌入电压而在很大程度上被忽略作为负极，这会降低锂离子的总能量密度。和钠离子电池（LIBs 和 SIBs）。在此，我们揭示了高容量多氧化还原空 NASICON-Nb 2 (PO 4 ) 3作为 LIB 和 SIB 的潜在阳极材料，它在 1.86 V相对于Li +的平均电压下可逆地提供 167 和 150 mA hg −1 /Li 0和 1.46 V对比Na + /Na 0， 分别。Li 和 Na 嵌入反应通过多个相变进行，导致短程有序 Li 3 Nb 2 (PO 4 ) 3和三斜 ( P
) Na 3 Nb 2 (PO 4 ) 3 ，如原位X 射线所示衍射研究。我们的密度泛函理论计算也与预测Na – Nb 2 ( PO 4) 3伪二进制。X 射线吸收光谱证实了多氧化还原 Nb 5+ /Nb 4+ /Nb 3+对的参与。Nb 2 (PO 4 ) 3阳极在 1C 速率下在 Li 和 Na 电池中分别提供大于 124 和 106 mA hg -1的容量。将 Nb 2 (PO 4 ) 3与合适的阴极和电解质配对可产生高能量密度电池。
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