Structural Stabilization and Superior Electrochemical Performance of Yttrium-Doped O3-NaFe0.4Ni0.3Mn0.3O2 Cathodes for Sodium-Ion Batteries

IF 7.2 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Chemistry of Materials Pub Date : 2025-01-13 DOI:10.1021/acs.chemmater.4c02852

Tingru Chen, Eugenio H. Otal, Tien Quang Nguyen, Shunsuke Narumi, Michihisa Koyama, Nobuyuki Zettsu

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Abstract

This is the first demonstration of successful Y³⁺ doping, and Y³⁺-doped O3-NaFe_0.4Ni_0.3Mn_0.3O₂ (NaFNM) cathodes exhibit superior cyclability and C-rate capabilities. Y³⁺ doping enabled cells with 91% capacity retention at 1 C after 100 cycles and a high specific capacity of 102 mA h g^–1 at a 7 C rate. Furthermore, the full cell delivered outstanding cycling stability, with a capacity retention of 80% after 500 cycles at 1 C and 71.3% after 1000 cycles. Operando X-ray diffraction spectroscopy (XRD) and X-ray absorption spectroscopy, along with simulations using density functional theory and neural network potential methods, provided comprehensive insights on the effects of Y³⁺ doping on the cycling characteristics. Our results confirm that Y³⁺ doping effectively stabilizes the O3 structure, enhances the electrochemical performance, and addresses the challenge of irreversible O3 to P3 phase transitions.

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来源期刊

Chemistry of Materials 工程技术-材料科学：综合

CiteScore

14.10

自引率

5.80%

发文量

929

审稿时长

1.5 months

期刊介绍： The journal Chemistry of Materials focuses on publishing original research at the intersection of materials science and chemistry. The studies published in the journal involve chemistry as a prominent component and explore topics such as the design, synthesis, characterization, processing, understanding, and application of functional or potentially functional materials. The journal covers various areas of interest, including inorganic and organic solid-state chemistry, nanomaterials, biomaterials, thin films and polymers, and composite/hybrid materials. The journal particularly seeks papers that highlight the creation or development of innovative materials with novel optical, electrical, magnetic, catalytic, or mechanical properties. It is essential that manuscripts on these topics have a primary focus on the chemistry of materials and represent a significant advancement compared to prior research. Before external reviews are sought, submitted manuscripts undergo a review process by a minimum of two editors to ensure their appropriateness for the journal and the presence of sufficient evidence of a significant advance that will be of broad interest to the materials chemistry community.