Spinel nanodomains relieve strain and stabilize lattice oxygen in ultrahigh-nickel zero-cobalt cathodes
Source abstract
Abstract
Ultrahigh-nickel, zero-cobalt layered oxides are emerging as promising cathodes for next-generation lithium-ion batteries combining high capacity and cost effectiveness. However, the high nickel content and absence of cobalt intensify anisotropic lattice strain and lattice oxygen instability during (de)lithiation, accelerating performance degradation. Contrary to the prevailing view that Li + /Ni 2+ cation mixing is detrimental, we propose that Nb-induced Li + /Ni 2+ mixing enables the spontaneous formation of spinel nanodomains within the layered matrix, which effectively relieve lattice strain and stabilize lattice oxygen during deep delithiation. The optimized cathode exhibits impressive cycling stability, retaining 93.4% of its initial capacity, while reducing voltage decay by 83% compared to the unmodified counterpart (from 1.43 to 0.24 mV per cycle) over 250 cycles. These findings establish a disorder-engineering paradigm by elucidating the formation mechanism and functional role of intergrowth nanodomains within ordered layered frameworks, paving the way toward next-generation stable cathodes with high energy density and cost competitiveness.
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Research context
OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Semiconductor materials and devices
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References (52)
Show source-provided references
1. Industry needs for practical lithium-metal battery designs in electric vehicles10.1038/s41560-024-01624-5 ↗
2. Recycling lithium-ion batteries from electric vehicles10.1038/s41586-019-1682-5 ↗
3. Challenges and advances in rechargeable batteries for extreme-condition applications
4. Batteries and fuel cells for emerging electric vehicle markets10.1038/s41560-018-0108-1 ↗
5. Current status and challenges for automotive battery production technologies10.1038/s41560-018-0130-3 ↗
6. High-energy lithium-ion batteries: recent progress and a promising future in applications10.1002/eem2.12450 ↗
7. Sustainable regeneration of spent cathodes for lithium-ion and post-lithium-ion batteries10.1038/s41893-024-01351-5 ↗
8. Compositionally and structurally redesigned high-energy Ni-rich layered cathode for next-generation lithium batteries10.1016/j.mattod.2018.12.004 ↗
9. Introducing high-valence elements into cobalt-free layered cathodes for practical lithium-ion batteries10.1038/s41560-022-01106-6 ↗
10. Unraveling the new role of manganese in nano and microstructural engineering of Ni-rich layered cathode for advanced lithium-ion batteries10.1002/aenm.202400130 ↗
11. A perspective on the sustainability of cathode materials used in lithium-ion batteries10.1002/aenm.202102028 ↗
12. The predicted persistence of cobalt in lithium-ion batteries10.1038/s41560-022-01129-z ↗
13. High-entropy doping promising ultrahigh-Ni Co-free single-crystalline cathode toward commercializable high-energy lithium-ion batteries10.1126/sciadv.ado4472 ↗
14. Mitigating the kinetic hysteresis of Co-free Ni-rich cathodes via gradient penetration of nonmagnetic silicon
15. Reversible configurations of 3-coordinate and 4-coordinate boron stabilize ultrahigh-Ni cathodes with superior cycling stability for practical Li-ion batteries
16. In situ surface engineering enables high interface stability and rapid reaction kinetics for Ni-rich cathodes10.1016/j.esci.2022.10.008 ↗
17. The role of dopants in mitigating the chemo-mechanical degradation of Ni-rich cathode: a critical review10.1002/ece2.92 ↗
18. Cobalt in lithium-ion batteries10.1126/science.aba9168 ↗
19. Unique insights into the design of low-strain single-crystalline Ni-rich cathodes with superior cycling stability10.1073/pnas.2317282121 ↗
20. Understanding Co roles towards developing Co-free Ni-rich cathodes for rechargeable batteries10.1038/s41560-021-00776-y ↗
21. Strain-retardant coherent perovskite phase stabilized Ni-rich cathode10.1038/s41586-022-05238-3 ↗
22. Review of computational studies of NCM cathode materials for Li-ion batteries10.1002/ijch.201900116 ↗
23. Oxygen redox activities governing high-voltage charging reversibility of Ni-rich layered cathodes10.1039/D4EE03832K ↗
24. Ultrahigh-nickel layered cathode with cycling stability for sustainable lithium-ion batteries10.1038/s41893-024-01402-x ↗
25. Restraining the escape of lattice oxygen enables superior cyclic performance towards high-voltage Ni-rich cathodes10.1093/nsr/nwac166 ↗
26. Restraining lattice oxygen escape by bioinspired antioxidant enables thermal runaway prevention in Ni-rich cathode based lithium-ion batteries10.1002/aenm.202401037 ↗
27. Noninvasive rejuvenation strategy of nickel-rich layered positive electrode for Li-ion battery through magneto-electrochemical synergistic activation10.1038/s41467-024-54641-z ↗
28. Surface gradient Ni-rich cathode for Li-ion batteries
29. Advances and perspectives in understanding the structure-redox relationship of layered Li-Co-Ni-Mn oxide cathode materials10.1016/j.pmatsci.2024.101247 ↗
30. Insights into cation migration and intermixing in advanced cathode materials for lithium-ion batteries
31. Cation ordered Ni-rich layered cathode for ultra-long battery life10.1039/D0EE03774E ↗
32. Comprehensive understanding of Li/Ni intermixing in layered transition metal oxides10.1016/j.mattod.2021.09.013 ↗
33. Facilitating lithium-ion diffusion in layered cathode materials by introducing Li+/Ni2+ antisite defects for high-rate Li-ion batteries10.34133/2019/2198906 ↗
34. Probing the nature of Li+/Ni2+ disorder on the structure and electrochemical performance in Ni-based layered oxide cathodes10.1149/2.0641916jes ↗
35. Li/Ni intermixing: the real origin of lattice oxygen stability in Co-free Ni-rich cathode materials10.1002/aenm.202303207 ↗
36. Atomic-thick metastable phase RhMo nanosheets for hydrogen oxidation catalysis10.1038/s41467-023-37406-y ↗
37. Local electronic structure and magnetic properties of LaMn0.5Co0.5O3 studied by X-ray absorption and magnetic circular dichroism spectroscopy10.1103/PhysRevB.77.125124 ↗
38. Magnetic and electric field dependent anisotropic magnetoelectric multiferroicity in SmMn3Cr4O12
39. Crack-free single-crystalline Co-free Ni-rich LiNi0.95Mn0.05O2 layered cathode10.1016/j.esci.2022.02.006 ↗
40. Strain and collapse during lithiation of layered transition metal oxides: a unified picture10.1039/D3EE04115H ↗
41. In situ induced surface reconstruction of single-crystal lithium-ion cathode toward effective interface compatibility10.1021/acsami.0c21973 ↗
42. In situ characterization of crystal phase evolution of the LiNi0.6Co0.2Mn0.2O2 cathode at different current densities10.1039/D3TA02279J ↗
43. Pushing the limit of layered transition metal oxide cathodes for high-energy density rechargeable Li ion batteries10.1039/C8EE00227D ↗
44. Regulation of surface defect chemistry toward stable Ni-rich cathodes
45. Assessing the intrinsic roles of key dopant elements in high-nickel layered oxide cathodes in lithium-based batteries10.1002/aenm.202203853 ↗
46. Structural stability of LiNiO2 cycled above 4.2 V10.1021/acsenergylett.7b00304 ↗
47. Strain engineering of Ni-rich cathode enables exceptional cyclability in pouch-type full cells
48. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
49. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
50. Generalized gradient approximation made simple10.1103/PhysRevLett.78.1396 ↗
51. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
52. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗