[Elsevier] Unveiling the electronic regulation mechanism via a combined DFT-machine learning strategy to screen high performance single-atom catalysts on black phosphorus monolayer for LiS batteries

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journalㄩChemical Engineering Journal

AuthorsㄩShirui Wang; Cheng He; Wenxue Zhang

Published dateㄩ2026-7-

DOIㄩ10.1016/j.cej.2026.176824

PDF linkㄩhttps://www.sciencedirect.com/sc ... 385894726042853/pdf

Article linkㄩhttps://doi.org/10.1016/j.cej.2026.176824

Article SourceㄩElsevier BV


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