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• W4306962799 endingPage "221183" @default.
• W4306962799 startingPage "221183" @default.
• W4306962799 abstract "Spinel-structured LiMn2O4 has three-dimensional lithium ion transport channels, and has become one of the preferred materials for future high-energy and high-power lithium-ion batteries due to its high operating voltage, good stability, and low price. However, its capacity decays rapidly during charging, hindering large-scale commercialization. In order to improve and enhance the cycling performance and capacity of LiMn2O4, it is crucial to correctly understand the atomic properties of the microstructure. In this work, we use density functional theory to investigate the nature of lithium ions and the migration barriers of lithium vacancies in spinel structures. The related compounds were prepared by the sol-gel method, and the battery was assembled to study the performance. The results show that the substitution of Mn atoms in LiMn2O4 by various trivalent, tetravalent and pentavalent cations X (LXM) leads to structural changes affecting Li mobility. The calculated activation energy of the migration vacancy is less than 0.026eV, and for the migration gap in LiMn2O4, the calculated migration energy is about 0.746eV. However, substitution by Ni and Al elements introduces interstitial Li ions for charge compensation, stabilizing the spinel structure and improving the ion transport of LiMn2O4. After experimental studies, it was also verified that the element doping improves the cycle." @default.
• W4306962799 created "2022-10-21" @default.
• W4306962799 creator A5079288155 @default.
• W4306962799 date "2022-11-01" @default.
• W4306962799 modified "2023-10-16" @default.
• W4306962799 title "First-principles Study and Experimental Preparation of LiMn2O4 Cathode Material Based on Spinel Structure" @default.
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• W4306962799 doi "https://doi.org/10.20964/2022.11.84" @default.
• W4306962799 hasPublicationYear "2022" @default.
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