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Entropy Tuning Stabilizing P2-Type Layered Cathodes for Sodium-Ion Batteries
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2024-01-21 , DOI: 10.1002/adfm.202315437
Jie Liu 1 , Weiyuan Huang 2 , Renbin Liu 1 , Jian Lang 1 , Yuhao Li 1 , Tongchao Liu 1 , Khalil Amine 2 , Hongsen Li 1
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2024-01-21 , DOI: 10.1002/adfm.202315437
Jie Liu 1 , Weiyuan Huang 2 , Renbin Liu 1 , Jian Lang 1 , Yuhao Li 1 , Tongchao Liu 1 , Khalil Amine 2 , Hongsen Li 1
Affiliation
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The P2-type layered transition metal oxide cathodes confront formidable challenges, including irreversible deleterious phase transitions, transition metals migration, and sluggish Na+ diffusion kinetics, which hamper their rapid commercial application in sodium ion batteries (SIB). In this work, an entropy tuning with dual-site substitution strategy is proposed to address the aforementioned issues. In the tailored [Na0.67Zn0.05]Ni0.22Cu0.06Mn0.66Ti0.01O2 (NZNCMTO) cathodes, the strategic incorporation of Zn ions serves to occupy Na sites, intentionally disrupting the Na/vacancy ordering and establishing a reinforcing “pillar” effect within the layered framework. Furthermore, the substitution of Cu and Ti for Ni and Mn bolsters covalent bonding with the lattice oxygen, thereby impeding the migration of the transition metal ions and leading to a near-zero strain structural evolution during charge and discharge process. Density functional theory calculations confirmed that entropy-tuned NZNCMTO substantially lowered the migration energy barrier for Na+ ions diffusion and improved electronic conductivity. Consequently, the NZNCMTO cathode exhibits an impressive high practical capacity of 91.54 mAh g−1 at a high discharge rate of 10 C, along with outstanding cycling stability, maintaining near 100% capacity retention over 500 cycles at a current density of 10 C. This work presents an innovative blueprint for designing high-performance sodium-ion battery cathode materials.
中文翻译：
钠离子电池的熵调谐稳定 P2 型层状阴极
P2型层状过渡金属氧化物正极面临着巨大的挑战，包括不可逆的有害相变、过渡金属迁移和缓慢的Na + 扩散动力学，这阻碍了其在钠离子电池（SIB）中的快速商业应用。在这项工作中，提出了一种采用双位点替换策略的熵调整来解决上述问题。在定制的[Na 0.67 Zn 0.05 ]Ni 0.22 Cu 0.06 Mn 0.66 Ti 0.01 (NZNCMTO) 阴极，策略性掺入 Zn 离子用于占据 Na 位点，有意破坏 Na/空位排序并在层状框架内建立增强的“支柱”效应。此外，Cu和Ti取代Ni和Mn增强了与晶格氧的共价键合，从而阻碍了过渡金属离子的迁移，并导致充电和放电过程中接近零应变的结构演化。密度泛函理论计算证实，熵调整的 NZNCMTO 显着降低了 Na + 离子扩散的迁移能垒，并提高了电子电导率。因此，NZNCMTO正极在10 C的高放电倍率下表现出令人印象深刻的91.54 mAh g −1 的高实用容量，以及出色的循环稳定性，在一定电流密度下500次循环后保持接近100%的容量保持率10 C。这项工作提出了设计高性能钠离子电池正极材料的创新蓝图。
更新日期：2024-01-21
中文翻译：
钠离子电池的熵调谐稳定 P2 型层状阴极
P2型层状过渡金属氧化物正极面临着巨大的挑战，包括不可逆的有害相变、过渡金属迁移和缓慢的Na + 扩散动力学，这阻碍了其在钠离子电池（SIB）中的快速商业应用。在这项工作中，提出了一种采用双位点替换策略的熵调整来解决上述问题。在定制的[Na 0.67 Zn 0.05 ]Ni 0.22 Cu 0.06 Mn 0.66 Ti 0.01 (NZNCMTO) 阴极，策略性掺入 Zn 离子用于占据 Na 位点，有意破坏 Na/空位排序并在层状框架内建立增强的“支柱”效应。此外，Cu和Ti取代Ni和Mn增强了与晶格氧的共价键合，从而阻碍了过渡金属离子的迁移，并导致充电和放电过程中接近零应变的结构演化。密度泛函理论计算证实，熵调整的 NZNCMTO 显着降低了 Na + 离子扩散的迁移能垒，并提高了电子电导率。因此，NZNCMTO正极在10 C的高放电倍率下表现出令人印象深刻的91.54 mAh g −1 的高实用容量，以及出色的循环稳定性，在一定电流密度下500次循环后保持接近100%的容量保持率10 C。这项工作提出了设计高性能钠离子电池正极材料的创新蓝图。
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