Unraveling the Formation of Amorphous MoS2 Nanograins during the Electrochemical Delithiation Process

Zhiqiang Zhu, Shibo Xi, Licheng Miao, Yuxin Tang, Yi Zeng, Huarong Xia, Zhisheng Lv, Wei Zhang, Xiang Ge, Hongwei Zhang, Jiaqi Wei, Shengkai Cao, Jun Chen*, Yonghua Du, Xiaodong Chen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

53 Citations (Scopus)

Abstract

Molybdenum disulfide (MoS2) is a promising high-capacity anode for lithium-ion batteries. However, the conversion reaction mechanism of MoS2 (the delithiation pathway in particular) has been controversial, which limits the rational optimization of its electrochemical performance. The main challenge is how to precisely identify the amorphous nanomaterials generated during lithiation/delithiation. Here, the structural evolutions of MoS2 during lithiation/delithiation are systematically investigated using synchrotron X-ray absorption spectroscopy at Mo K-edge and S K-edge and Raman spectroscopy. It is revealed that amorphous MoS2 nanograins rather than sulfur as previously suggested, are formed after delithiation, and that the fully lithiated MoS2 electrode contains additional Mo-S related phases besides the known Mo and Li2S. Density functional theory simulations suggest that the Mo nanoparticles formed during lithiation are very reactive with Li2S, thus enabling the regeneration of MoS2 upon delithiation. These findings deepen the understanding of the lithiation/delithiation mechanism of MoS2, which will pave the way for the rational design of advanced MoS2-based electrodes.

Original languageEnglish
Article number1904843
JournalAdvanced Functional Materials
Volume29
Issue number42
DOIs
Publication statusPublished - Oct 1 2019
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

ASJC Scopus Subject Areas

  • Electronic, Optical and Magnetic Materials
  • General Chemistry
  • Biomaterials
  • General Materials Science
  • Condensed Matter Physics
  • Electrochemistry

Keywords

  • amorphous nanomaterials
  • in situ Raman
  • lithium storage mechanism
  • molybdenum disulfide
  • X-ray absorption spectroscopy

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