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锂位钇掺杂形成的电子结构有助于提高高镍正极的充电电压。

Electronic structure formed by YO-doping in lithium position assists improvement of charging-voltage for high-nickel cathodes.

作者信息

Wang Shijie, Liang Kang, Zhao Hongshun, Wu Min, He Junfeng, Wei Peng, Ding Zhengping, Li Jianbin, Huang Xiaobing, Ren Yurong

机构信息

School of Materials Science and Engineering, Changzhou University, Changzhou, People's Republic of China.

School of Chemistry and Materials Engineering, Hunan University of Arts and Science, Changde, People's Republic of China.

出版信息

Nat Commun. 2025 Jan 2;16(1):1. doi: 10.1038/s41467-024-52768-7.

Abstract

High-capacity power battery can be attained through the elevation of the cut-off voltage for LiNiCoMnO high-nickel material. Nevertheless, unstable lattice oxygen would be released during the lithium deep extraction. To solve the above issues, the electronic structure is reconstructed by substituting Li ions with Y ions. The dopant within the Li layer could transfer electrons to the adjacent lattice oxygen. Subsequently, the accumulated electrons in the oxygen site are transferred to nickel of highly valence state under the action of the reduction coupling mechanism. The modified strategy suppresses the generation of oxygen defects by regulating the local electronic structure, but more importantly, it reduces the concentration of highly reactive Ni species during the charging state, thus avoiding the evolution of an unexpected phase transition. Strengthening the coupling strength between the lithium layers and transition metal layers finally realizes the fast-charging performance improvement and the cycling stability enhancement under high voltage.

摘要

通过提高LiNiCoMnO高镍材料的截止电压,可以获得高容量动力电池。然而,在深度锂提取过程中会释放不稳定的晶格氧。为了解决上述问题,通过用Y离子取代Li离子来重构电子结构。Li层中的掺杂剂可以将电子转移到相邻的晶格氧上。随后,在还原耦合机制的作用下,氧位点积累的电子转移到高价态的镍上。该改性策略通过调节局部电子结构抑制了氧缺陷的产生,但更重要的是,它降低了充电状态下高活性Ni物种的浓度,从而避免了意外相变的发生。增强锂层与过渡金属层之间的耦合强度最终实现了高压下快充性能的提高和循环稳定性的增强。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/96aa/11697207/c5038ca68da8/41467_2024_52768_Fig1_HTML.jpg

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