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Unraveling the mechanisms of zirconium metal-organic frameworks-based mixed-matrix membranes preventing polysulfide shuttling

(2024) SMALL SCIENCE. 4(6).
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Abstract
Lithium-sulfur batteries are considered as promising candidates for next-generation energy storage devices for grid applications due to their high theoretical energy density. However, the inevitable shuttle effect of lithium polysulfides and/or dendrite growth of Li metal anodes hinder their commercial viability. Herein, the microporous Zr fumarate metal-organic framework (MOF)-801(Zr) is considered to produce thin (approximate to 15.6 mu m, approximate to 1 mg cm2) mixed-matrix membranes (MMM) as a novel interlayer for Li-S batteries. It is found that the MOF-801(Zr)/C/PVDF-HFP composite interlayer facilitates Li+ ions diffusion, and anchors polysulfides while promoting their redox conversion effectively. It is demonstrated that MOF-801 effectively trapped polysulfides at the cathode side, and confirmed for the first time the nature of the interaction between the adsorbed polysulfides and the host framework, through a combination of solid-state nuclear magnetic resonance and molecular dynamics simulations. The incorporation of MOF-801(Zr)/C/PVDF-HFP MMM interlayer results in a notable enhancement in the initial capacity of Li-S batteries up to 1110 mA h g-1. Moreover, even after 50 cycles, a specific capacity of 880 mA h g-1 is delivered. Microporous metal-organic frameworks-801(Zr) is a model to decipher the nature of the interaction between the adsorbed polysulfides and the host framework, through a combination of solid-state nuclear magnetic resonance and molecular dynamics simulations and its shaping in mixed-matrix membranes as a novel interlayer material for lithium-sulfur batteries.image (c) 2024 WILEY-VCH GmbH
Keywords
LITHIUM-SULFUR BATTERIES, PERFORMANCE, ADSORPTION, SEPARATOR, DENSITY, interlayers, lithium-sulfur batteries, metal-organic frameworks, mixed-matrix membranes, modeling, solid-state nuclear magnetic resonance

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Citation

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MLA
Lu, Wenqing, et al. “Unraveling the Mechanisms of Zirconium Metal-Organic Frameworks-Based Mixed-Matrix Membranes Preventing Polysulfide Shuttling.” SMALL SCIENCE, vol. 4, no. 6, Wiley, 2024, doi:10.1002/smsc.202300339.
APA
Lu, W., Pang, Z., Lamaire, A., Liu, F., Dai, S., Pinto, M. L., … Serre, C. (2024). Unraveling the mechanisms of zirconium metal-organic frameworks-based mixed-matrix membranes preventing polysulfide shuttling. SMALL SCIENCE, 4(6). https://doi.org/10.1002/smsc.202300339
Chicago author-date
Lu, Wenqing, Zhenfeng Pang, Aran Lamaire, Fu Liu, Shan Dai, Moises L. Pinto, Rezan Demir-Cakan, et al. 2024. “Unraveling the Mechanisms of Zirconium Metal-Organic Frameworks-Based Mixed-Matrix Membranes Preventing Polysulfide Shuttling.” SMALL SCIENCE 4 (6). https://doi.org/10.1002/smsc.202300339.
Chicago author-date (all authors)
Lu, Wenqing, Zhenfeng Pang, Aran Lamaire, Fu Liu, Shan Dai, Moises L. Pinto, Rezan Demir-Cakan, Kong Ooi Tan, Veronique Van Speybroeck, Vanessa Pimenta, and Christian Serre. 2024. “Unraveling the Mechanisms of Zirconium Metal-Organic Frameworks-Based Mixed-Matrix Membranes Preventing Polysulfide Shuttling.” SMALL SCIENCE 4 (6). doi:10.1002/smsc.202300339.
Vancouver
1.
Lu W, Pang Z, Lamaire A, Liu F, Dai S, Pinto ML, et al. Unraveling the mechanisms of zirconium metal-organic frameworks-based mixed-matrix membranes preventing polysulfide shuttling. SMALL SCIENCE. 2024;4(6).
IEEE
[1]
W. Lu et al., “Unraveling the mechanisms of zirconium metal-organic frameworks-based mixed-matrix membranes preventing polysulfide shuttling,” SMALL SCIENCE, vol. 4, no. 6, 2024.
@article{01J0JRB4VS9V31M7Q9TSCPSR4B,
  abstract     = {{Lithium-sulfur batteries are considered as promising candidates for next-generation energy storage devices for grid applications due to their high theoretical energy density. However, the inevitable shuttle effect of lithium polysulfides and/or dendrite growth of Li metal anodes hinder their commercial viability. Herein, the microporous Zr fumarate metal-organic framework (MOF)-801(Zr) is considered to produce thin (approximate to 15.6 mu m, approximate to 1 mg cm2) mixed-matrix membranes (MMM) as a novel interlayer for Li-S batteries. It is found that the MOF-801(Zr)/C/PVDF-HFP composite interlayer facilitates Li+ ions diffusion, and anchors polysulfides while promoting their redox conversion effectively. It is demonstrated that MOF-801 effectively trapped polysulfides at the cathode side, and confirmed for the first time the nature of the interaction between the adsorbed polysulfides and the host framework, through a combination of solid-state nuclear magnetic resonance and molecular dynamics simulations. The incorporation of MOF-801(Zr)/C/PVDF-HFP MMM interlayer results in a notable enhancement in the initial capacity of Li-S batteries up to 1110 mA h g-1. Moreover, even after 50 cycles, a specific capacity of 880 mA h g-1 is delivered.

 Microporous metal-organic frameworks-801(Zr) is a model to decipher the nature of the interaction between the adsorbed polysulfides and the host framework, through a combination of solid-state nuclear magnetic resonance and molecular dynamics simulations and its shaping in mixed-matrix membranes as a novel interlayer material for lithium-sulfur batteries.image (c) 2024 WILEY-VCH GmbH}},
  author       = {{Lu, Wenqing and  Pang, Zhenfeng and Lamaire, Aran and  Liu, Fu and  Dai, Shan and  Pinto, Moises L. and  Demir-Cakan, Rezan and  Ooi Tan, Kong and Van Speybroeck, Veronique and  Pimenta, Vanessa and  Serre, Christian}},
  issn         = {{2688-4046}},
  journal      = {{SMALL SCIENCE}},
  keywords     = {{LITHIUM-SULFUR BATTERIES,PERFORMANCE,ADSORPTION,SEPARATOR,DENSITY,interlayers,lithium-sulfur batteries,metal-organic frameworks,mixed-matrix membranes,modeling,solid-state nuclear magnetic resonance}},
  language     = {{eng}},
  number       = {{6}},
  pages        = {{12}},
  publisher    = {{Wiley}},
  title        = {{Unraveling the mechanisms of zirconium metal-organic frameworks-based mixed-matrix membranes preventing polysulfide shuttling}},
  url          = {{http://doi.org/10.1002/smsc.202300339}},
  volume       = {{4}},
  year         = {{2024}},
}

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