| Title: | Heteroatom-synergistic effect on anchoring polysulfides In chalcone-linked nanographene covalent organic frameworks for high-performance Li─S batteries |
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| Authors: | ID Ranjeesh, Kayaramkodath C. (Author)
ID Javaregowda, Bharathkumar H. (Author)
ID Gaber, Safa (Author)
ID Bhauriyal, Preeti (Author)
ID Kumar, Sushil (Author)
ID Škorjanc, Tina (Author)
ID Finšgar, Matjaž (Author)
ID Heine, Thomas (Author)
ID Krishnamoorthy, Kothandam (Author)
ID Shetty, Dinesh (Author) |
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| Files: |  Advanced_Science_-_2025_-_Ranjeesh_-_Heteroatom‐Synergistic_Effect_on_Anchoring_Polysulfides_In_Chalcone‐Linked.pdf (2,87 MB)
MD5: 06C7A23B4CA569B5F2F010C9C38263F3
 https://advanced.onlinelibrary.wiley.com/doi/10.1002/advs.202415897
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| Language: | English |
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| Work type: | Article |
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| Typology: | 1.01 - Original Scientific Article |
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| Organization: | FKKT - Faculty of Chemistry and Chemical Engineering
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| Abstract: | Lithium-sulfur (Li─S) batteries are an attractive option for future energy storage devices because they offer higher theoretical specific capacity, energy density, and cost-effectiveness than commercial lithium-ion batteries. However, the practical applications of Li─S batteries are significantly limited by the shuttle effect caused by intermediate lithium polysulfides (LiPSs) and slow redox kinetics. In this study, the molecular engineering of chalcone-linked, sp2-bonded nanographene-type covalent organic frameworks (COFs) as sulfur hosts is reported to enhance interactions with LiPSs, thereby effectively suppressing the shuttle effect. The developed sulfur-hosting cathode material demonstrated outstanding battery performance, surpassing most reported materials by achieving a specific capacity of 1228 mA h g−1 at 0.5C, with 80% retention after 500 cycles and an average Coulombic Efficiency (C.E.) of 99%. Additionally, the mechanisms of sulfur immobilization, the subsequent conversion into lithium polysulfides (LiPSs), and their binding energies with COFs are investigated using density functional theory (DFT) calculations. These findings offer valuable insights into the structure-property relationships essential for developing more efficient sulfur-hosting cathodes. |
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| Keywords: | covalent organic frameworks, lithium-sulfur battery, nanographene, anion-pi interaction, polysulfide shuttle |
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| Publication status: | Published |
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| Publication version: | Version of Record |
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| Submitted for review: | 28.11.2024 |
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| Publication date: | 25.02.2025 |
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| Publisher: | Wiley-VCH |
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| Year of publishing: | 2025 |
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| Number of pages: | 11 str. |
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| PID: | 20.500.12556/DKUM-92164  |
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| UDC: | 544 |
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| ISSN on article: | 2198-3844 |
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| COBISS.SI-ID: | 228066563 |
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| DOI: | 10.1002/advs.202415897 |
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| Copyright: | © 2025 The Author(s) |
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| Publication date in DKUM: | 17.03.2025 |
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| Views: | 184 |
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| Downloads: | 7 |
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| Metadata: |    |
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| Categories: | Misc.
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