Quantitative Identification of Dopant Occupation in Li-Rich Cathodes

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

  • Tianhao Wu
  • Xu Zhang
  • Yuqiang Li
  • Haozhe Du
  • Tongchao Liu
  • Yubo Yang
  • Zihe Zhang
  • Xiaosong Liu
  • Qingzhen Huang
  • Jiangtao Qu
  • Shu Zhao
  • Boya Wang
  • Rongkun Zheng
  • Khalil Amine
  • Haijun Yu

Detail(s)

Original languageEnglish
Article number2408543
Journal / PublicationAdvanced Materials
Publication statusOnline published - 25 Nov 2024

Abstract

Elemental doping is widely used to improve the performance of cathode materials in lithium-ion batteries. However, macroscopic/statistical investigation on how doping sites are distributed in the material lattice, despite being a key prerequisite for understanding and manipulating the doping effect, has not been effectively established. Herein, to solve this predicament, a universal strategy is proposed to quantitatively identify the locations of Al and Mg dopants in lithium-rich layered oxides (LLOs). Solid evidence confirms that Al prefers to occupy the transition metal (TM) layer, while Mg evenly occupies both TM and Li layers. As a result, Mg significantly reduces the thickness of LiO2 slabs at room temperature, which will increase the energy barrier of oxygen activation and enhance the structure stability of LLOs. The suppressed oxygen activity in Mg-doped LLO can be kinetically unlocked at 55 °C. The different characteristics of Al and Mg enlighten an Al/Mg co-doping strategy to optimize LLOs, which significantly improves the cycle performance while lifting the capacity. These insights from the quantitative identification of doping sites shed light on the manipulation of doping effects toward better cathodes. © 2024 Wiley-VCH GmbH.

Research Area(s)

  • cycle performance, doping sites, lithium-ion battery, lithium-rich layered oxides, oxygen activity

Citation Format(s)

Quantitative Identification of Dopant Occupation in Li-Rich Cathodes. / Wu, Tianhao; Zhang, Xu; Li, Yuqiang et al.
In: Advanced Materials, 25.11.2024.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review