ArticleRSC advances2026
A machine learning approach to predict C-H bond activation on dual-site doped graphene catalysts.
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
6 authors.
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Abstract
The catalytic performance of graphene-based dual-metal-site catalysts (DMSCs) for the nonoxidative coupling of methane (NOCM) is systematically investigated using machine learning (ML)-assisted DFT calculations. To obtain insights into the methane C-H bond activation, several ML algorithms are used to predict adsorption energies ( and ) and activation barriers (
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