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Enhanced Li-Ion-Storage Performance of MoS2 through Multistage Structural Design

  • Wang, M
  • Xu, YHH
  • Lu, F
  • Zhu, Z
  • Dong, JYY
  • Fang, DLL
  • Zhou, J
  • Yang, YJJ
  • Zhong, YTT
  • Chen, SMM
  • Bando, Y
  • Golberg, D
  • Wang, X
  • Wang, Mei
  • Xu, Yunhua H.
  • Lu, Fei
  • Zhu, Zhian
  • Dong, Jinyang Y.
  • Fang, Daliang L.
  • Zhou, Jian
  • And 6 more
Publication Date
Jan 01, 2019
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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Inspired by a folded protein, multistage structural MoS2 is designed as an advanced anode material for lithium-ion batteries (LIBs). Density functional theory (DFT) calculations are initially performed, demonstrating that the ideal primary structure (P-MoS2) has saw-tooth-like edges terminated by Mo atoms and the desired secondary structure (C-MoS2) may form via crumpling. For the latter, more exposed (002) planes exist within the wrinkled parts, creating more active sites and promoting isotropic Li+ insertion. Importantly, the rate capability and capacity of a MoS2 anode are enhanced after such a P-MoS2 to C-MoS2 transition: a superb specific capacity of 1490 mAh/g for C-MoS2 at 0.1 A/g (vs. 1083 mAh/g for P-MoS2), an excellent cycling stability (858 mAh/g after 450 cycles at 0.5 A/g), and an improved rate capability of 591 mAh/g at 1 A/g (vs. 465 mAh/g) are documented. The curving effects and mechanical properties of a single C-MoS2 particle are further visualized by insitu TEM. Drastically enlarged spacing changes upon Li-insertion and high elasticity are confirmed, which lead to enhanced LIB performances and the excellent mechanical strength of C-MoS2. The present multistage design of a MoS2 structure should pave the way toward high-energy MoS2 anode materials for future LIBs.

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