Synergy of F− doping and fluorocarbon coating on elevating high-voltage cycling stability of NCM811 for lithium-ion batteries

IF 9.6 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Rare Metals Pub Date : 2024-10-22 DOI:10.1007/s12598-024-02951-y

Gao-Xing Sun, Bin Zhu, Rui He, Qi-Dong Liang, Sheng-Yu Jiang, Yan Ren, Xiao-Xiao Pan, Yu-Qing Sun, Mi Lu, Wen-Xian Zhang, Cheng-Huan Huang, Shu-Xin Zhuang

{"title":"Synergy of F− doping and fluorocarbon coating on elevating high-voltage cycling stability of NCM811 for lithium-ion batteries","authors":"Gao-Xing Sun, Bin Zhu, Rui He, Qi-Dong Liang, Sheng-Yu Jiang, Yan Ren, Xiao-Xiao Pan, Yu-Qing Sun, Mi Lu, Wen-Xian Zhang, Cheng-Huan Huang, Shu-Xin Zhuang","doi":"10.1007/s12598-024-02951-y","DOIUrl":null,"url":null,"abstract":"<div><p>Although lithium-ion batteries are widely recognized as a new generation of energy storage devices, their large-scale application is severely hampered by their low energy density and restricted cyclic stability. Herein, an ingenious dual-modified interface, where the F-doping and fluorocarbon coating co-existed on Li[Ni<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>]O<sub>2</sub> surface, is rationally constructed to elevate its energy density and structural stability attributed to F<sup>−</sup> grafting between the bulk material and the coating utilizing a robust super-conformal fluorocarbon coating structural framework and more stable F-doped system under high charge/discharge cut-off voltage. In comparison with a single carbon-coated modified Li[Ni<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>]O<sub>2</sub>, the dual-modified sample overcomes the fatal disadvantage of carbon coating stripping during long-period cycles ascribed to the “TM-F-multifunctional coating” connector which firmly combines the bulk material with the coating with a strong interaction force, exhibiting a more stable-reversible structure and excellent comprehensive electrochemical performance under high cut-off voltage. Concomitantly, the F-transition metal bonds with stronger bond energies improve its structural reversibility during the processes of charge/discharge under high voltage. Furthermore, the fluorocarbon coating enhances its charge transfer ability and effectively restrains the interfacial side reactions. Additionally, the climbing nudged elastic band methodology is used to calculate the diffusion energy barrier of lithium-ions in the matrix material, which confirms the fundamental reason for its superior lithium-ion diffusion ability. The high pseudocapacitance contribution ratio is perfectly explained by calculating the adsorption capacity on the surface of the dual-modified sample. Consequently, experiments and theoretical calculations unequivocally confirm its distinguished electrochemical properties under high cut-off voltage.</p><h3>Graphical Abstract</h3>\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":749,"journal":{"name":"Rare Metals","volume":"44 3","pages":"1577 - 1593"},"PeriodicalIF":9.6000,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rare Metals","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s12598-024-02951-y","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Although lithium-ion batteries are widely recognized as a new generation of energy storage devices, their large-scale application is severely hampered by their low energy density and restricted cyclic stability. Herein, an ingenious dual-modified interface, where the F-doping and fluorocarbon coating co-existed on Li[Ni_0.8Co_0.1Mn_0.1]O₂ surface, is rationally constructed to elevate its energy density and structural stability attributed to F⁻ grafting between the bulk material and the coating utilizing a robust super-conformal fluorocarbon coating structural framework and more stable F-doped system under high charge/discharge cut-off voltage. In comparison with a single carbon-coated modified Li[Ni_0.8Co_0.1Mn_0.1]O₂, the dual-modified sample overcomes the fatal disadvantage of carbon coating stripping during long-period cycles ascribed to the “TM-F-multifunctional coating” connector which firmly combines the bulk material with the coating with a strong interaction force, exhibiting a more stable-reversible structure and excellent comprehensive electrochemical performance under high cut-off voltage. Concomitantly, the F-transition metal bonds with stronger bond energies improve its structural reversibility during the processes of charge/discharge under high voltage. Furthermore, the fluorocarbon coating enhances its charge transfer ability and effectively restrains the interfacial side reactions. Additionally, the climbing nudged elastic band methodology is used to calculate the diffusion energy barrier of lithium-ions in the matrix material, which confirms the fundamental reason for its superior lithium-ion diffusion ability. The high pseudocapacitance contribution ratio is perfectly explained by calculating the adsorption capacity on the surface of the dual-modified sample. Consequently, experiments and theoretical calculations unequivocally confirm its distinguished electrochemical properties under high cut-off voltage.

Graphical Abstract

查看原文本刊更多论文

掺杂 F 和碳氟化合物涂层对提高锂离子电池 NCM811 高电压循环稳定性的协同作用

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Rare Metals 工程技术-材料科学：综合

CiteScore

12.10

自引率

12.50%

发文量

2919

审稿时长

2.7 months

期刊介绍： Rare Metals is a monthly peer-reviewed journal published by the Nonferrous Metals Society of China. It serves as a platform for engineers and scientists to communicate and disseminate original research articles in the field of rare metals. The journal focuses on a wide range of topics including metallurgy, processing, and determination of rare metals. Additionally, it showcases the application of rare metals in advanced materials such as superconductors, semiconductors, composites, and ceramics.