Enhanced Li‐Ion‐Storage Performance of MoS2 through Multistage Structural Design,ChemElectroChem

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Enhanced Li‐Ion‐Storage Performance of MoS2 through Multistage Structural Design
ChemElectroChem ( IF 3.5 ) Pub Date : 2019-01-11 , DOI: 10.1002/celc.201801533
Mei Wang ₁ , Yunhua H. Xu ₁ , Fei Lu ₂ , Zhian Zhu ₃ , Jinyang Y. Dong ₂ , Daliang L. Fang ₄ , Jian Zhou ₃ , Yijun J. Yang ₂ , Yeteng T. Zhong ₅ , Shimou M. Chen ₄ , Yoshio Bando _{6,

7} , Dmitri Golberg _{7,

8} , Xi Wang _{2,

6}

Affiliation

Department of Chemistry; School of ScienceBeijing Jiaotong University Beijing 100044 P. R. China
Key Laboratory of Luminescence and Optical Information, Ministry of Education, Department of Physics, School of ScienceBeijing Jiaotong University Beijing 100044 P. R. China
National Laboratory of Solid State Microstructures and Department of Materials Science and EngineeringNanjing University Nanjing 210093 China
Beijing Key Laboratory of Ionic Liquid Clean Process, Key Laboratory of Green Process and Engineering, State Key Laboratory of Multiphase Complex Systems, Institute of Process EngineeringChinese Academy of Sciences Beijing 100190 China
Department of ChemistryStanford University Stanford, CA 94305 USA
School of Chemical Engineering and Technology, Tianjin University; Institute of Molecular Plus, Tianjin University; Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Department of ChemistryTianjin University; Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) Tianjin 300072 P. R. China
International Center for Young Scientists (ICYS) & International Center for Materials Nanoarchitectonics (MANA)National Institute for Materials Science (NIMS), Namiki 1–1, Tsukuba Ibaraki 305-0044 Japan
School of Chemistry, Physics and Mechanical Engineering, Science and Engineering FacultyQueensland University of Technology (QUT) 2^nd George str. Brisbane QLD 4000 Australia

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 in situ 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.

中文翻译：

通过多阶段结构设计增强了MoS2的锂离子存储性能

受折叠蛋白的启发，多级结构MoS ₂被设计为锂离子电池（LIB）的高级阳极材料。最初执行密度泛函理论（DFT）计算，证明理想的一级结构（P-MoS ₂）的锯齿状边缘被Mo原子终止，所需的二级结构（C-MoS ₂）可能会通过皱折形成。对于后者，在皱纹部分内存在更多暴露的（002）平面，从而创建更多的活性位并促进各向同性Li ⁺插入。重要的是，在这样的P-MoS ₂至C-MoS ₂之后，MoS ₂阳极的速率能力和容量得以增强过渡：C-MoS ₂在0.1 A / g时具有1490 mAh / g的出色比容量（P-MoS _2在1083 mAh / g时），出色的循环稳定性（0.5 A时450次循环后为858 mAh / g） / g），并记录了在1 A / g（vs. 465 mAh / g）下提高了591 mAh / g的速率能力。单个C-MoS ₂粒子的弯曲效果和机械性能通过原位TEM进一步可视化。可以肯定的是，插入锂时间距的变化大大增加，并具有高弹性，这导致增强的LIB性能和出色的C-MoS ₂机械强度。MoS ₂结构的当前多阶段设计应为将来的LIB朝高能MoS ₂阳极材料铺平道路。

更新日期：2019-01-11

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