Sodium phytate stabilizing lattice oxygen in high-nickel oxide cathodes for thermal runaway inhibition and high voltage operation.

IF 18.8 1区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Science Bulletin Pub Date : 2025-05-29 DOI:10.1016/j.scib.2025.05.035

Yuanke Wu, Qiang Wu, Ziqi Zeng, Yixuan Dong, Shijie Cheng, Jia Xie

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引用次数: 0

Abstract

The reactive oxygen species (O*) released from the nickel-rich layered oxide cathodes (LiNi_xCo_yMn_1-_x_-_yO₂, NCM) are responsible for triggering thermal runaway (TR) in lithium-ion batteries (LIBs). Specifically, the charge compensation from transition metal (TM) 3d to oxygen (O) 2p in NCM plays a pivotal role in O* release. Here, inspired by the strong chelating effect of sodium phytate (PN) on TM, we employ PN as a cathode additive to coordinate with nickel, thereby weakening the charge compensation of TM 3d to O 2p on the surface of LiNi_0.8Co_0.1Mn_0.1O₂ (NCM811) and ultimately enhancing battery safety. It is shown that the chelation successfully stabilizes lattice oxygen and suppresses the release of O*, preventing detrimental phase transitions in NCM811 and reducing heat generation from O* related crosstalk reactions. Consequently, the TR trigger temperature (T_tr) of NCM811 pouch cell with PN elevates from 125.9 to 184.8 °C, while the maximum temperature (T_max) decreases from 543.7 to 319.7 °C. Moreover, the PN-derived modification layer allows NCM811 to maintain exceptional cycling stability for over 700 cycles at 4.6 V. This strategy provides a facile method for stabilizing lattice oxygen in NCM, inhibiting O*-triggered TR, and enhancing high-voltage performance.

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植酸钠稳定高镍氧化物阴极中的晶格氧，用于热失控抑制和高压操作。

富镍层状氧化物阴极（LiNixCoyMn1-x-yO2， NCM）释放的活性氧（O*）负责触发锂离子电池（LIBs）的热失控（TR）。具体来说，NCM中过渡金属（TM） 3d向氧(O) 2p的电荷补偿在O*释放中起关键作用。本研究受植酸钠（PN）对TM的强螯合作用的启发，采用PN作为阴极添加剂与镍配合，减弱了TM 3d对o2p在LiNi0.8Co0.1Mn0.1O2 （NCM811）表面的电荷补偿，最终提高了电池的安全性。结果表明，螯合成功地稳定了晶格氧，抑制了O*的释放，防止了NCM811中有害的相变，减少了O*相关串扰反应产生的热量。因此，NCM811带PN袋胞的TR触发温度（Ttr）从125.9℃升高到184.8℃，而最高温度（Tmax）从543.7℃降低到319.7℃。此外，pn衍生修饰层允许NCM811在4.6 V下保持超过700次循环的卓越稳定性。该策略为稳定NCM中的晶格氧、抑制O*触发的TR和提高高压性能提供了一种简便的方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Science Bulletin MULTIDISCIPLINARY SCIENCES-

CiteScore

24.60

自引率

2.10%

发文量

8092

期刊介绍： Science Bulletin (Sci. Bull., formerly known as Chinese Science Bulletin) is a multidisciplinary academic journal supervised by the Chinese Academy of Sciences (CAS) and co-sponsored by the CAS and the National Natural Science Foundation of China (NSFC). Sci. Bull. is a semi-monthly international journal publishing high-caliber peer-reviewed research on a broad range of natural sciences and high-tech fields on the basis of its originality, scientific significance and whether it is of general interest. In addition, we are committed to serving the scientific community with immediate, authoritative news and valuable insights into upcoming trends around the globe.