Flexible 2D Boron Imidazolate Framework for Polysulfide Adsorption in Lithium-Sulfur Batteries

Soumyodip Banerjee, Xu Han, Maxime Siegler, Elisa Miller, Nicholas Bedford, Brandon Bukowski, V. Sara Thoi

Research output: Contribution to journalArticlepeer-review

8 Scopus Citations


The "polysulfide shuttle,"a process initiated by the dissolution of polysulfides, is recognized to be one of the major failure mechanisms of lithium-sulfur (Li-S) batteries. Much research effort has been dedicated toward efficient cathode additives and host materials to suppress the leaching of polysulfide species. Herein, we report a new 2D metal-organic framework constituted by a tritopic ligand, boron imidazolate ([BH(Im)3]-, Im = imidazole), and Co2+ ions for lithium polysulfide adsorption. The cobalt imidazolate framework (CoN6-BIF) contains octahedrally coordinated Co centers that form two-dimensional layers in the a,b plane. Composite cathodes containing CoN6-BIF exhibited high sulfur utilization and capacity retention, resulting in improved specific capacity and cycle life compared to sulfur/carbon controls. Density functional theory (DFT) calculations suggest that CoN6-BIF linkers are rotationally flexible, allowing the framework to accommodate polysulfide in the expanded pores. This unusual property of BIFs opens up new avenues for exploring flexible metal-organic frameworks (MOFs) and their applications to energy storage.

Original languageAmerican English
Pages (from-to)10451-10458
Number of pages8
JournalChemistry of Materials
Issue number23
StatePublished - 2022

Bibliographical note

Publisher Copyright:
© 2022 American Chemical Society.

NREL Publication Number

  • NREL/JA-5900-83574


  • 2D metal-organic framework
  • cathode additives
  • lithium-sulfur batteries
  • solar-photochemistry


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