Identifying key factors of peroxymonosulfate activation on single-atom M–N–C catalysts: a combined density functional theory and machine learning study?

待确认 10 由 Hu 发布于 2026/9/23 9:32:58

DOI:10.1039/D3TA02371K
作者：Yun Sun, Jiachun Cao, Qianyu Li, Didi Li and Zhimin Ao
文献类型：期刊论文
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Royal Society of Chemistry (RSC)

Abstract：Through a combination of density functional theory and machine learning, the intrinsic factors underlying the activation of peroxymonosulfate on a range of single-atom catalysts were reveale

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