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. 2024 Feb 2;15:1005. doi: 10.1038/s41467-024-45405-w

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© The Author(s) 2024

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 1 — a The binding energies of K₂S₄ on W_SA@NC, W metal (110), W₂C (102), WC (101), WN (112), WO₃ (100), WS₂ (002) and WSe₂ (006) and the corresponding configurations (insets). b The energy profiles of K₂S₂ migration on NC, W_SA@NC, and W₂C (102). c The calculated initial, transition and final states of K₂S₂ migration. d Volcano plot of KPS conversion and migration functionalities with respect to specific energy values. e Schematic demonstrating the design principle of the W_SA-W₂C composite based sulfur host for efficient sulfur redox in KSBs guided by the theoretical calculation. Source data are provided as a Source Data file.