20.500.12556/DKUM-92164 Heteroatom-synergistic effect on anchoring polysulfides In chalcone-linked nanographene covalent organic frameworks for high-performance Li─S batteries 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. covalent organic frameworks lithium-sulfur battery nanographene anion-pi interaction polysulfide shuttle kovalentna organska ogrodja litij-žveplove baterije nanografeni interakcija anion-pi true false true Wiley-VCH Angleški jezik Slovenski jezik https://advanced.onlinelibrary.wiley.com/journal/21983844 © 2025 The Author(s) Članek v reviji 2025-03-17 12:49:36 2025-03-17 12:49:37 2026-01-05 14:50:23 0000-00-00 00:00:00 2025 0 0 11 str. First published: 25 February 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 2024-11-28 0000-00-00 2025-02-25 544 228066563 10.1002/advs.202415897 2198-3844 Advanced_Science_-_2025_-_Ranjeesh_-_Heteroatom‐Synergistic_Effect_on_Anchoring_Polysulfides_In_Chalcone‐Linked.pdf Advanced_Science_-_2025_-_Ranjeesh_-_Heteroatom‐Synergistic_Effect_on_Anchoring_Polysulfides_In_Chalcone‐Linked.pdf 1 06C7A23B4CA569B5F2F010C9C38263F3 d1d7f1daf0fa1c4eb5ffab576e526928ac5ae4a774288907e2e0406063f110d6 4423c166-0326-11f0-895f-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=189416 https://advanced.onlinelibrary.wiley.com/doi/10.1002/advs.202415897 1 e863d7eb-0325-11f0-895f-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=189415 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0