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Article Dans Une Revue Advanced Materials Année : 2021

MIL‐96‐Al for Li–S Batteries: Shape or Size?

Pengbiao Geng
  • Fonction : Auteur
Lei Wang
  • Fonction : Auteur
Meng Du
  • Fonction : Auteur
Yang Bai
  • Fonction : Auteur
  • PersonId : 769677
  • IdRef : 190539097
Wenting Li
  • Fonction : Auteur
Yanfang Liu
  • Fonction : Auteur
Shuangqiang Chen
  • Fonction : Auteur
Qiang Xu
  • Fonction : Auteur
Huan Pang
  • Fonction : Auteur

Résumé

Metal–organic frameworks (MOFs) with controllable shapes and sizes show a great potential in Li–S batteries. However, neither the relationship between shape and specific capacity nor the influence of MOF particle size on cyclic stability have been fully established yet. Herein, MIL-96-Al with various shapes, forming hexagonal platelet crystals (HPC), hexagonal bipyramidal crystals (HBC), and hexagonal prismatic bipyramidal crystals (HPBC) are successfully prepared via cosolvent methods. Density functional theory (DFT) calculations demonstrate that the HBC shape with highly exposed (101) planes can effectively adsorb lithium polysulfides (LPS) during the charge/discharge process. By changing the relative proportion of the cosolvents, HBC samples with different particle sizes are prepared. When these MIL-96-Al crystals are used as sulfur host materials, it is found that those with a smaller size of the HBC shape deliver higher initial capacity. These investigations establish that different crystal planes have different adsorption abilities for LPS, and that the MOF particle size should be considered for a suitable sulfur host. More broadly, this work provides a strategy for designing sulfur hosts in Li–S batteries.

Domaines

Matériaux
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Dates et versions

hal-03616824 , version 1 (22-03-2022)

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Citer

Pengbiao Geng, Lei Wang, Meng Du, Yang Bai, Wenting Li, et al.. MIL‐96‐Al for Li–S Batteries: Shape or Size?. Advanced Materials, 2021, pp.2107836. ⟨10.1002/adma.202107836⟩. ⟨hal-03616824⟩
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