Dynamic Reconstruction of the Surface Lattice to Stabilize Lithium Nickel Oxide Cathodes via Molybdenum Modification

IF 19.3 1区材料科学 Q1 CHEMISTRY, PHYSICAL

ACS Energy Letters Pub Date : 2025-02-05 DOI:10.1021/acsenergylett.4c03455

Kuiming Liu, Guoyu Ding, Zhichen Hou, Xinhui Huang, Yiyang Peng, Ruyu Xi, Meng Yao, Yue Li, Meng Yu, Fangyi Cheng

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Abstract

Cobalt-free, nickel-rich oxides are promising cathode materials with high energy density but suffer from poor reversibility due to unstable surface and anisotropic phase transitions. We report the performance improvement of LiNiO₂ by Mo doping within the bulk and epitaxial growth of Li₄MoO₅ on the surface. Mo-modification exerts multiple effects, including construction of a three-dimensional Li⁺ diffusion channel, reduction in surface reaction activity, and alleviation of structural strain, which collectively enhance Coulombic efficiency and stabilize lattice oxygen up to a charging voltage of 4.8 V. The interdiffusion of Li, Ni, and Mo between the surface Li₄MoO₅ and bulk LiNiO₂ facilitates in situ reconstruction of the surface lattice to form a Mo-rich Li⁺/Ni²⁺ superlattice structure that anchors surface oxygen and promotes liberation of additional Li⁺ from Li₄MoO₅ for charge compensation. This study reveals the dynamic structural changes of Mo-modified LiNiO₂ and proposes strategies to address lithium-loss and structure-instability issues in cycling nickel-rich cathode materials.

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通过钼改性动态重构表面晶格以稳定氧化镍锂阴极

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来源期刊

ACS Energy Letters Energy-Renewable Energy, Sustainability and the Environment

CiteScore

31.20

自引率

5.00%

发文量

469

审稿时长

1 months

期刊介绍： ACS Energy Letters is a monthly journal that publishes papers reporting new scientific advances in energy research. The journal focuses on topics that are of interest to scientists working in the fundamental and applied sciences. Rapid publication is a central criterion for acceptance, and the journal is known for its quick publication times, with an average of 4-6 weeks from submission to web publication in As Soon As Publishable format. ACS Energy Letters is ranked as the number one journal in the Web of Science Electrochemistry category. It also ranks within the top 10 journals for Physical Chemistry, Energy & Fuels, and Nanoscience & Nanotechnology. The journal offers several types of articles, including Letters, Energy Express, Perspectives, Reviews, Editorials, Viewpoints and Energy Focus. Additionally, authors have the option to submit videos that summarize or support the information presented in a Perspective or Review article, which can be highlighted on the journal's website. ACS Energy Letters is abstracted and indexed in Chemical Abstracts Service/SciFinder, EBSCO-summon, PubMed, Web of Science, Scopus and Portico.