Can single-atom precision rewire the electrochemical logic of Li–S chemistry? A comprehensive review of single-atom catalysts as agents of precise modulation
Single-atom catalysts (SACs) present a compelling strategy to overcome the persistent challenges in lithium–sulfur batteries, such as polysulfide shuttling and sluggish redox kinetics. Their atomically dispersed nature and tunable coordination structures enable selective modulation of intermediate s...
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| Veröffentlicht in: | Chemical science (Cambridge) Jg. 16; H. 46; S. 21677 - 2174 |
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| Hauptverfasser: | , , , , , |
| Format: | Journal Article |
| Sprache: | Englisch |
| Veröffentlicht: |
England
Royal Society of Chemistry
26.11.2025
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| Schlagworte: | |
| ISSN: | 2041-6520, 2041-6539 |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | Single-atom catalysts (SACs) present a compelling strategy to overcome the persistent challenges in lithium–sulfur batteries, such as polysulfide shuttling and sluggish redox kinetics. Their atomically dispersed nature and tunable coordination structures enable selective modulation of intermediate species and catalytic interfaces. Despite rapid progress, SAC design remains largely empirical, lacking a unified mechanistic framework. In this review, we outline a precision catalysis paradigm for SACs in lithium–sulfur systems. The discussion is organized along three core dimensions: spatial configuration, reaction pathway control, and functional integration. We summarize how coordination asymmetry, charge redistribution, and interfacial electronic coupling influence the adsorption and transformation of lithium polysulfides and Li
2
S. These insights are supported by spectroscopic characterization and theoretical calculations. Beyond conventional activity descriptors, we uncover structure–activity correlations involving d-band shifts, orbital hybridization, and electronic field effects. The concluded framework is further applied to sodium–sulfur, potassium–sulfur, and solid-state lithium–sulfur systems, demonstrating broad applicability. This review advances the understanding of SACs from passive adsorption sites toward programmable redox regulation. It provides conceptual and design guidance for future catalyst development based on adaptive coordination environments and data-driven optimization strategies.
Single-atom precision rewires Li–S electrochemical logic
via
spatial configuration, pathway programming, and functional coupling; the paradigm extends to Na/K/Mg–S and solid-state systems. |
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| Bibliographie: | Energy & Environmental Science Yue Wang is a research fellow in Professor Hui Ying Yang's group at the National University of Singapore. He received his Ph.D. in Materials Science from Nanjing University and previously worked at the Singapore University of Technology and Design. His research lies in electrochemical energy storage, with particular focus on sodium- and potassium-ion batteries, sodium–sulfur chemistry, and solid-state sodium–sulfur batteries. He has published in journals including and H index 100) and international recognition including the NRF Investigatorship and ACS Nano Impact Award. contributing theoretical and experimental insights toward next-generation energy devices. Angewandte Chemie International Edition ACS Nano Advanced Materials , Hui Ying Yang is a Professor in the Department of Materials Science and Engineering at the National University of Singapore. She received her Ph.D. from Nanyang Technological University and previously held faculty appointments at the Singapore University of Technology and Design and visiting assistant professor at the Massachusetts Institute of Technology. Her research focuses on advanced nanomaterials for energy storage and water treatment, leading to over 400 publications with more than 30 000 citations ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14 ObjectType-Review-3 content type line 23 |
| ISSN: | 2041-6520 2041-6539 |
| DOI: | 10.1039/d5sc05720e |