Issue

Vol. 16 (2024)

Impact of Transition Metal Layer Vacancy on the Structure and Performance of P2 Type Layered Sodium Cathode Material

https://doi.org/10.1007/s40820-024-01439-9
Orynbay Zhanadilov
Department of Nanotechnology and Advanced Materials Engineering and Sejong Battery Institute, Hybrid Materials Research Center, Sejong University, 98 Gunja‑Dong, Gwangjin‑Gu, Seoul 05006, South Korea
Sourav Baiju
Institute of Energy and Climate Research‑Materials Synthesis and Processing (IEK‑1), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Natalia Voronina
Department of Nanotechnology and Advanced Materials Engineering and Sejong Battery Institute, Hybrid Materials Research Center, Sejong University, 98 Gunja‑Dong, Gwangjin‑Gu, Seoul 05006, South Korea
Jun Ho Yu
Department of Nanotechnology and Advanced Materials Engineering and Sejong Battery Institute, Hybrid Materials Research Center, Sejong University, 98 Gunja‑Dong, Gwangjin‑Gu, Seoul 05006, South Korea
A.‑Yeon Kim
Center for Energy Storage Research, Korea Institute of Science and Technology, Seoul 02792, South Korea
Hun‑Gi Jung
KIST‑SKKU Carbon‑Neutral Research Center, Sungkyunkwan University, Suwon 16419, South Korea
Kyuwook Ihm
Pohang Accelerator Laboratory, 80 Jigokro‑127‑Beongil, Nam‑Gu, Pohang, Gyeongbuk 37673, South Korea
Olivier Guillon
Institute of Energy and Climate Research‑Materials Synthesis and Processing (IEK‑1), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Payam Kaghazchi
Institute of Energy and Climate Research‑Materials Synthesis and Processing (IEK‑1), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Seung‑Taek Myung
Department of Nanotechnology and Advanced Materials Engineering and Sejong Battery Institute, Hybrid Materials Research Center, Sejong University, 98 Gunja‑Dong, Gwangjin‑Gu, Seoul 05006, South Korea

Corresponding Author: Seung‑Taek Myung

smyung@sejong.ac.kr

Nano-Micro Letters, Vol. 16 (2024), Article Number: 239

Abstract

This study explores the impact of introducing vacancy in the transition metal layer of rationally designed Na0.6[Ni0.3Ru0.3Mn0.4]O2 (NRM) cathode material. The incorporation of Ru, Ni, and vacancy enhances the structural stability during extensive cycling, increases the operation voltage, and induces a capacity increase while also activating oxygen redox, respectively, in Na0.7[Ni0.2VNi0.1Ru0.3Mn0.4]O2 (V-NRM) compound. Various analytical techniques including transmission electron microscopy, X-ray absorption near edge spectroscopy, operando X-ray diffraction, and operando differential electrochemical mass spectrometry are employed to assess changes in the average oxidation states and structural distortions. The results demonstrate that V-NRM exhibits higher capacity than NRM and maintains a moderate capacity retention of 81% after 100 cycles. Furthermore, the formation of additional lone-pair electrons in the O 2p orbital enables V-NRM to utilize more capacity from the oxygen redox validated by density functional calculation, leading to a widened dominance of the OP4 phase without releasing O2 gas. These findings offer valuable insights for the design of advanced high-capacity cathode materials with improved performance and sustainability in sodium-ion batteries.


Highlights:
1 Vacancy in the transition metal layer of sodium cathode material induces the formation lone-pair electrons in the O 2p orbital.
2 Material delivers more capacity from the oxygen redox validated by density functional calculation.
3 Widened dominance of the OP4 phase without releasing O2 gas.

Keywords

Layered oxide Oxygen evolution Sodium battery Vacancy Cathode
Zhanadilov, Orynbay, Sourav Baiju, Natalia Voronina, Jun Ho Yu, A.‑Yeon Kim, Hun‑Gi Jung, Kyuwook Ihm, Olivier Guillon, Payam Kaghazchi, and Seung‑Taek Myung. 2024. “Impact of Transition Metal Layer Vacancy on the Structure and Performance of P2 Type Layered Sodium Cathode Material”. Nano-Micro Letters 16 (July):239. https://doi.org/10.1007/s40820-024-01439-9.
Download Citation
Endnote/Zotero/Mendeley (RIS)
BibTeX
References
  1. J.-Y. Hwang, S.-T. Myung, Y.-K. Sun, Sodium-ion batteries: present and future. Chem. Soc. Rev. 46, 3529–3614 (2017). https://doi.org/10.1039/c6cs00776g
  2. N. Yabuuchi, K. Kubota, M. Dahbi, S. Komaba, Research development on sodium-ion batteries. Chem. Rev. 114, 11636–11682 (2014). https://doi.org/10.1021/cr500192f
  3. C. Vaalma, D. Buchholz, M. Weil, S. Passerini, A cost and resource analysis of sodium-ion batteries. Nat. Rev. Mater. 3, 18013 (2018). https://doi.org/10.1038/natrevmats.2018.13
  4. P.K. Nayak, L. Yang, W. Brehm, P. Adelhelm, From lithium-ion to sodium-ion batteries: advantages, challenges, and surprises. Angew. Chem. Int. Ed. 57, 102–120 (2018). https://doi.org/10.1002/anie.201703772
  5. X. Cao, H. Li, Y. Qiao, M. Jia, P. He et al., Achieving stable anionic redox chemistry in Li-excess O2-type layered oxide cathode via chemical ion-exchange strategy. Energy Storage Mater. 38, 1–8 (2021). https://doi.org/10.1016/j.ensm.2021.02.047
  6. N. Voronina, J.H. Yu, H.J. Kim, N. Yaqoob, O. Guillon et al., Engineering transition metal layers for long lasting anionic redox in layered sodium manganese oxide. Adv. Funct. Mater. 33, 2210423 (2023). https://doi.org/10.1002/adfm.202210423
  7. J.H. Yu, N. Voronina, N. Yaqoob, S. Kim, A.K. Paidi et al., Migration of Mg in Na–O–Mg configuration for oxygen redox of sodium cathode. ACS Energy Lett. 9, 145–152 (2024). https://doi.org/10.1021/acsenergylett.3c02388
  8. R.J. Clément, J. Billaud, A. Robert Armstrong, G. Singh, T. Rojo et al., Structurally stable Mg-doped P2-Na2/3Mn1−yMgyO2 sodium-ion battery cathodes with high rate performance: insights from electrochemical, NMR and diffraction studies. Energy Environ. Sci. 9, 3240–3251 (2016). https://doi.org/10.1039/C6EE01750A
  9. P. Lavela, J. Leyva, J.L. Tirado, Sustainable, low Ni-containing Mg-doped layered oxides as cathodes for sodium-ion batteries. Dalton Trans. 52, 17289–17298 (2023). https://doi.org/10.1039/d3dt02988c
  10. N. Voronina, S.-T. Myung, Recent advances in electrode materials with anion redox chemistry for sodium-ion batteries. Energy Mater. Adv. 2021, 9819521 (2021). https://doi.org/10.34133/2021/9819521
  11. A. Konarov, J.H. Jo, J.U. Choi, Z. Bakenov, H. Yashiro et al., Exceptionally highly stable cycling performance and facile oxygen-redox of manganese-based cathode materials for rechargeable sodium batteries. Nano Energy 59, 197–206 (2019). https://doi.org/10.1016/j.nanoen.2019.02.042
  12. X. Bai, M. Sathiya, B. Mendoza-Sánchez, A. Iadecola, J. Vergnet et al., Anionic Redox Activity in a Newly Zn-Doped Sodium Layered Oxide P2-Na2/3Mn1−yZnyO2 (0 < y < 0.23). Adv. Energy Mater. 8, 1–12 (2018). https://doi.org/10.1002/aenm.201802379
  13. S. Ong, W. Richards, G. Ceder, A.J. Toumar, S. Dacek, Vacancy ordering in O3-type layered metal oxide sodium-ion battery cathodes. Phys. Rev. Appl. 4, 064002 (2015). https://doi.org/10.1103/PhysRevApplied.4.064002
  14. J.-H. Park, I.-H. Ko, J. Lee, S. Park, D. Kim et al., Anionic redox reactions in cathodes for sodium-ion batteries. ChemElectroChem 8, 625–643 (2021). https://doi.org/10.1002/celc.202001383
  15. A. Massaro, A. Langella, C. Gerbaldi, G.A. Elia, A.B. Muñoz-García et al., Ru-doping of P2-NaxMn0.75Ni0.25O2-layered oxides for high-energy Na-ion battery cathodes: first-principles insights on activation and control of reversible oxide redox chemistry. ACS Appl. Energy Mater. 5, 10721–10730 (2022). https://doi.org/10.1021/acsaem.2c01455
  16. J. Xiao, X. Li, K. Tang, D. Wang, M. Long et al., Recent progress of emerging cathode materials for sodium ion batteries. Mater. Chem. Front. 5, 3735–3764 (2021). https://doi.org/10.1039/d1qm00179e
  17. H.J. Kim, A. Konarov, J.H. Jo, J.U. Choi, K. Ihm et al., Controlled oxygen redox for excellent power capability in layered sodium-based compounds. Adv. Energy Mater. 9, 1901181 (2019). https://doi.org/10.1002/aenm.201901181
  18. A. Konarov, H.J. Kim, J.-H. Jo, N. Voronina, Y. Lee et al., High-voltage oxygen-redox-based cathode for rechargeable sodium-ion batteries. Adv. Energy Mater. 10, 2001111 (2020). https://doi.org/10.1002/aenm.202001111
  19. N. Voronina, N. Yaqoob, H.J. Kim, K.-S. Lee, H.-D. Lim et al., A new approach to stable cationic and anionic redox activity in O3-layered cathode for sodium-ion batteries. Adv. Energy Mater. 11, 2100901 (2021). https://doi.org/10.1002/aenm.202100901
  20. M.L. Kalapsazova, K.L. Kostov, R.R. Kukeva, E.N. Zhecheva, R.K. Stoyanova, Oxygen-storage materials to stabilize the oxygen redox activity of three-layered sodium transition metal oxides. J. Phys. Chem. Lett. 12, 7804–7811 (2021). https://doi.org/10.1021/acs.jpclett.1c01982
  21. M.H.N. Assadi, M. Okubo, A. Yamada, Y. Tateyama, Oxygen redox in hexagonal layered NaxTMO3 (TM = 4d elements) for high capacity Na ion batteries. J. Mater. Chem. A 6, 3747–3753 (2018). https://doi.org/10.1039/C7TA10826E
  22. B. Mortemard de Boisse, S.-I. Nishimura, E. Watanabe, L. Lander, A. Tsuchimoto et al., Highly reversible oxygen-redox chemistry at 4.1 V in Na4/7–x[□1/7Mn6/7]O2 (□: Mn vacancy). Adv. Energy Mater. 8, 1800409 (2018). https://doi.org/10.1002/aenm.201800409
  23. H. Gao, J. Li, F. Zhang, C. Li, J. Xiao et al., Revealing the potential and challenges of high-entropy layered cathodes for sodium-based energy storage. Adv. Energy Mater. (2024). https://doi.org/10.1002/aenm.202304529
  24. J. Xiao, Y. Xiao, J. Li, C. Gong, X. Nie et al., Advanced nanoengineering strategies endow high-performance layered transition-metaloxide cathodes for sodium-ion batteries. SmartMat 4, e1211 (2023). https://doi.org/10.1002/smm2.1211
  25. Y.-F. Zhu, Y. Xiao, S.-X. Dou, Y.-M. Kang, S.-L. Chou, Spinel/Post-spinel engineering on layered oxide cathodes for sodium-ion batteries. eScience 1, 13–27 (2021). https://doi.org/10.1016/j.esci.2021.10.003
  26. Q. Wang, J. Li, H. Jin, S. Xin, H. Gao, Prussian-blue materials: Revealing new opportunities for rechargeable batteries. InfoMat 4, e12311 (2022). https://doi.org/10.1002/inf2.12311
  27. M. Wang, Q. Wang, X. Ding, Y. Wang, Y. Xin et al., The prospect and challenges of sodium-ion batteries for low-temperature conditions. Interdiscip. Mater. 1, 373–395 (2022). https://doi.org/10.1002/idm2.12040
  28. A. Rudola, C.J. Wright, J. Barker, Reviewing the safe shipping of lithium-ion and sodium-ion cells: a materials chemistry perspective. Energy Mater. Adv. 2021, 9798460 (2021). https://doi.org/10.34133/2021/9798460
  29. Q. Shen, Y. Liu, X. Zhao, J. Jin, Y. Wang et al., Transition-metal vacancy manufacturing and sodium-site doping enable a high-performance layered oxide cathode through cationic and anionic redox chemistry. Adv. Funct. Mater. 31, 2106923 (2021). https://doi.org/10.1002/adfm.202106923
  30. J. Jin, Y. Liu, X. Zhao, H. Liu, S. Deng et al., Annealing in Argon universally upgrades the Na-storage performance of Mn-based layered oxide cathodes by creating bulk oxygen vacancies. Angew. Chem. Int. Ed. 62, e202219230 (2023). https://doi.org/10.1002/anie.202219230
  31. Q. Shen, Y. Liu, L. Jiao, X. Qu, J. Chen, Current state-of-the-art characterization techniques for probing the layered oxide cathode materials of sodium-ion batteries. Energy Storage Mater. 35, 400–430 (2021). https://doi.org/10.1016/j.ensm.2020.11.002
  32. N. Voronina, M.-Y. Shin, H.-J. Kim, N. Yaqoob, O. Guillon et al., Hysteresis-suppressed reversible oxygen-redox cathodes for sodium-ion batteries. Adv. Energy Mater. 12, 2103939 (2022). https://doi.org/10.1002/aenm.202103939
  33. X.-L. Li, T. Wang, Y. Yuan, X.-Y. Yue, Q.-C. Wang et al., Whole-voltage-range oxygen redox in P2-layered cathode materials for sodium-ion batteries. Adv. Mater. 33, e2008194 (2021). https://doi.org/10.1002/adma.202008194
  34. L. Yang, Z. Liu, S. Liu, M. Han, Q. Zhang et al., Superiority of native vacancies in activating anionic redox in P2-type Na2/3[Mn7/9Mg1/9□1/9]O2. Nano Energy 78, 105172 (2020). https://doi.org/10.1016/j.nanoen.2020.105172
  35. X. Bai, A. Iadecola, J.-M. Tarascon, P. Rozier, Decoupling the effect of vacancies and electropositive cations on the anionic redox processes in Na based P2-type layered oxides. Energy Storage Mater. 31, 146–155 (2020). https://doi.org/10.1016/j.ensm.2020.05.032
  36. K. Okhotnikov, T. Charpentier, S. Cadars, Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals. J. Cheminform. 8, 17 (2016). https://doi.org/10.1186/s13321-016-0129-3
  37. P.E. Blöchl, Projector augmented-wave method. Phys. Rev. B Condens. Matter 50, 17953–17979 (1994). https://doi.org/10.1103/physrevb.50.17953
  38. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996). https://doi.org/10.1103/physrevlett.77.3865
  39. J. Heyd, G.E. Scuseria, M. Ernzerhof, Hybrid functionals based on a screened Coulomb potential. J. Chem. Phys. 118, 8207–8215 (2003). https://doi.org/10.1063/1.1564060
  40. X. Liu, S. Wang, L. Wang, K. Wang, X. Wu et al., Stabilizing the high-voltage cycle performance of LiNi0.8Co0.1Mn0.1O2 cathode material by Mg doping. J. Power. Sources 438, 227017 (2019). https://doi.org/10.1016/j.jpowsour.2019.227017
  41. P. Senthil Kumar, A. Sakunthala, M. Prabu, M.V. Reddy, R. Joshi, Structure and electrical properties of lithium nickel manganese oxide (LiNi0.5Mn0.5O2) prepared by P123 assisted hydrothermal route. Solid State Ion. 267, 1–8 (2014). https://doi.org/10.1016/j.ssi.2014.09.002
  42. S.-T. Myung, S. Komaba, K. Kurihara, K. Hosoya, N. Kumagai et al., Synthesis of Li [(Ni0.5Mn0.5)1-xLix]O2 by emulsion drying method and impact of excess Li on structural and electrochemical properties. Chem. Mater. 18, 1658–1666 (2006). https://doi.org/10.1021/cm052704j
  43. D.G. Archer, Thermodynamic properties of import to environmental processes and remediation. II. previous thermodynamic property values for nickel and some of its compounds. J. Phys. Chem. Ref. Data 28, 1485–1507 (1999). https://doi.org/10.1063/1.556044
  44. C. Mallika, O.M. Sreedharan, Standard Gibbs energies of formation of RuO2 (s) and LaRuO3(s) by oxide e.m.f. measurements. J. Less Common Met. 162, 51–60 (1990). https://doi.org/10.1016/0022-5088(90)90458-V
  45. K.T. Jacob, A. Kumar, G. Rajitha, Y. Waseda, Thermodynamic data for Mn3O4, Mn2O3 and MnO2. High Temp. Mater. Process. 30, 459–472 (2011). https://doi.org/10.1515/htmp.2011.069
  46. E. McCalla, A.W. Rowe, J. Camardese, J.R. Dahn, The role of metal site vacancies in promoting Li–Mn–Ni–O layered solid solutions. Chem. Mater. 25, 2716–2721 (2013). https://doi.org/10.1021/cm401461m
  47. A. Tsuchimoto, X.-M. Shi, K. Kawai, B. Mortemard de Boisse, J. Kikkawa et al., Nonpolarizing oxygen-redox capacity without O–O dimerization in Na2Mn3O7. Nat. Commun. 12, 631 (2021). https://doi.org/10.1038/s41467-020-20643-w
  48. B. Song, M. Tang, E. Hu, O.J. Borkiewicz, K.M. Wiaderek et al., Understanding the low-voltage hysteresis of anionic redox in Na2Mn3O7. Chem. Mater. 31, 3756–3765 (2019). https://doi.org/10.1021/acs.chemmater.9b00772
  49. Z. Xiao, W. Zuo, X. Liu, J. Xie, H. He et al., Insights of the electrochemical reversibility of P2-type sodium manganese oxide cathodes via modulation of transition metal vacancies. ACS Appl. Mater. Interfaces 13, 38305–38314 (2021). https://doi.org/10.1021/acsami.1c09544
  50. J.-Y. Hwang, J. Kim, T.-Y. Yu, Y.-K. Sun, A new P2-type layered oxide cathode with extremely high energy density for sodium-ion batteries. Adv. Energy Mater. 9, 1803346 (2019). https://doi.org/10.1002/aenm.201803346
  51. S. Eom, S.H. Jeong, S.J. Lee, Y.H. Jung, J.-H. Kim, Mitigating the P2–O2 phase transition of Ni–Co–Mn based layered oxide for improved sodium-ion batteries via interlayered structural modulation. Mater. Today Energy 38, 101449 (2023). https://doi.org/10.1016/j.mtener.2023.101449
  52. M. Bianchini, E. Gonzalo, N.E. Drewett, N. Ortiz-Vitoriano, J.M. López del Amo et al., Layered P2–O3 sodium-ion cathodes derived from earth abundant elements. J. Mater. Chem. A 6, 3552–3559 (2018). https://doi.org/10.1039/C7TA11180K
  53. R. Berthelot, M. Pollet, D. Carlier, C. Delmas, Reinvestigation of the OP4-(Li/Na)CoO2-Layered system and first evidence of the (Li/Na/Na)CoO2 phase with OPP9 oxygen stacking. Inorg. Chem. 50, 2420–2430 (2011). https://doi.org/10.1021/ic102218w
  54. S. Wang, C. Sun, N. Wang, Q. Zhang, Ni- and/or Mn-based layered transition metal oxides as cathode materials for sodium ion batteries: status, challenges and countermeasures. J. Mater. Chem. A 7, 10138–10158 (2019). https://doi.org/10.1039/C8TA12441H
Read More
Author biographies are not available.
Download this PDF file
PDF SUPPLEMENTARY FILE
Statistic
Read Counter : 2457 Download : 1816

Most read articles by the same author(s)