Статья

Preferable single-atom catalysts enabled by natural language processing for high energy density Na-S batteries

Ruilin BaiHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, ChinaYu YaoHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, China. [email protected]Qiaosong LinUniversity of Chinese Academy of Sciences, Beijing, 100049, ChinaLing Juan WuInstitute of Immunology, Zhejiang University School of Medicine, Hangzhou, Zhejiang, 310058, ChinaZhen LiHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, ChinaHuijuan WangExperimental Center of Engineering and Material Science, University of Science and Technology of China, Hefei, 230026, ChinaMingze MaHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, ChinaDi MuSchool of Materials Science & Engineering, Shandong University, Jinan, 250061, Shandong, ChinaLingxiang HuIBISC Lab, Université Paris-Saclay, Paris, 91000, FranceHaiqing YangHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, ChinaW.S. LiDepartment of Mechanical and Materials Engineering, Western University, London, ON, N6A 5B9, CanadaShaolong ZhuHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, ChinaXiaojun WuHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, ChinaXianhong RuiGuangdong Provincial Key Laboratory on Functional Soft Condensed Matter, School of Materials and Energy, Guangdong University of Technology, Guangzhou, 510006, Guangdong, ChinaYan YuHefei National Research Center for Physical Sciences at the Microscale, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026, China. [email protected]

2025en

ABI

Аннотация

Employing appropriate single-atom (SA) catalysts in room-temperature sodium-sulfur (Na-S) batteries is propitious to promote the performance, whereas a universal designing strategy for the highly-efficient single-atom catalysts is absent. In this work, we adopt natural language processing techniques to screen the potential single-atom catalysts, then a binary descriptor is constructed to optimize the catalyst candidates. Atomically dispersed cobalt anchored to both nitrogen and sulfur atoms (SA Co-N/S) is selected as an ideal catalyst to significantly facilitate sulfur reduction reaction. The sulfur cathode catalyzed with SA Co-N/S almost realizes complete transformation, and the corresponding pouch cell exhibits satisfactory performance with high mass loading. In-situ X-ray absorption spectroscopy reveals the dynamical interactions between SA Co-N/S and sulfur species in the sulfur reduction reaction. Our work provides a method to select the preferable SA catalyst and to understand the interfacial catalysis dynamics in the sustainable Na-S systems. Employing appropriate catalysts in room-temperature sodium-sulfur batteries can significantly enhance performance. Here, authors utilize natural language processing techniques in conjunction with a binary descriptor to screen preferrable single-atom catalysts to achieve high specific capacity.

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Идентификаторы

DOI: 10.1038/s41467-025-60931-x

Цитирования и источники

Цитирований: 2Использованных источников: 0

Показатели — AkademScholar