Enhancing Na+ diffusion dynamics and structural stability of O3-NaMn0.5Ni0.5O2 cathode by Sc and Zn dual-substitution

IF 4.7 1区材料科学 Q1 METALLURGY & METALLURGICAL ENGINEERING

Transactions of Nonferrous Metals Society of China Pub Date : 2024-10-01 DOI:10.1016/S1003-6326(24)66612-4

Bin-bin WANG , Yi-ming FENG , Xin LUO , Qun HUANG , Zi-xing HOU , Ya-qin WU , Peng-yu WANG , Yu-yang QI , Qing-fei MENG , Wei-feng WEI , Liang-jun ZHOU

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引用次数: 0

Abstract

Sc and Zn were introduced into O3-NaMn_0.5Ni_0.5O₂ (NaMN) using the combination of solution combustion and solid-state method. The effect of Sc and Zn dual-substitution on Na⁺ diffusion dynamics and structural stability of NaMN was investigated. The physicochemical characterizations suggest that the introduction of Sc and Zn broaden Na⁺ diffusion channels and weaken the Na—O bonds, thereby facilitating the diffusion of sodium ions. Simulations indicate that the Sc and Zn dual-substitution decreases the diffusion barrier of Na-ions and improves the conductivity of the material. The dual-substituted NaMn_0.5Ni_0.4Sc_0.04Zn_0.04O₂ (NaMNSZ44) cathode delivers impressive cycle stability with capacity retention of 71.2 % after 200 cycles at 1C and 54.8% after 400 cycles at 5C. Additionally, the full cell paired with hard carbon anode exhibits a remarkable long-term cycling stability, showing capacity retention of 64.1% after 250 cycles at 1C. These results demonstrate that Sc and Zn dual-substitution is an effective strategy to improve the Na⁺ diffusion dynamics and structural stability of NaMN.

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通过 Sc 和 Zn 双替代增强 O3-NaMn0.5Ni0.5O2 阴极的 Na+ 扩散动力学和结构稳定性

采用溶液燃烧法和固态法相结合的方法在 O3-NaMn0.5Ni0.5O2 (NaMN) 中引入了 Sc 和 Zn。研究了 Sc 和 Zn 双取代对 Na+ 扩散动力学和 NaMN 结构稳定性的影响。理化性质表明，Sc 和 Zn 的引入拓宽了 Na+ 扩散通道，削弱了 Na-O 键，从而促进了钠离子的扩散。模拟结果表明，Sc 和 Zn 的双重取代降低了 Na 离子的扩散障碍，提高了材料的导电性。双取代 NaMn0.5Ni0.4Sc0.04Zn0.04O2 (NaMNSZ44) 阴极具有令人印象深刻的循环稳定性，在 1C 温度下循环 200 次后容量保持率为 71.2%，在 5C 温度下循环 400 次后容量保持率为 54.8%。此外，与硬碳阳极配对的全电池也表现出显著的长期循环稳定性，在 1C 下循环 250 次后容量保持率为 64.1%。这些结果表明，Sc 和 Zn 双替代是改善 NaMN 的 Na+ 扩散动力学和结构稳定性的有效策略。

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来源期刊

Transactions of Nonferrous Metals Society of China 工程技术-冶金工程

CiteScore

7.40

自引率

17.80%

发文量

8456

审稿时长

3.6 months

期刊介绍： The Transactions of Nonferrous Metals Society of China (Trans. Nonferrous Met. Soc. China), founded in 1991 and sponsored by The Nonferrous Metals Society of China, is published monthly now and mainly contains reports of original research which reflect the new progresses in the field of nonferrous metals science and technology, including mineral processing, extraction metallurgy, metallic materials and heat treatments, metal working, physical metallurgy, powder metallurgy, with the emphasis on fundamental science. It is the unique preeminent publication in English for scientists, engineers, under/post-graduates on the field of nonferrous metals industry. This journal is covered by many famous abstract/index systems and databases such as SCI Expanded, Ei Compendex Plus, INSPEC, CA, METADEX, AJ and JICST.