ArticleChemical science2021
Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number.
Article in Chemical science, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- High-Efficiency Strategy for Reducing Decomposition Potential of Lithium Formate as Cathode Prelithiation Additive for Lithium-Ion Batteries.Nanomaterials (Basel, Switzerland) · 2025Article
- Correlating active sites and oxidative species in single-atom catalyzed Fenton-like reactions.Chemical science · 2024Review
- Descriptors and graphical construction forChemical science · 2022Article
Corrections and comments
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Authors and funding
3 authors.
Funding
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Abstract
We investigate oxidative methane activation on a wide range of single transition metal atom catalysts embedded on N-doped graphene derivatives using density functional theory calculations. An inverse scaling relationship between *O formation and its hydrogen affinity is observed, consistent with a previous report. However, we find that the latter scaling line can be shifted towards a more reactive region by tuning the coordination number (CN) of the active metal sites. Specifically, we find that lowering the CN plays an important role in increasing the reactivity for methane activation
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Registered trials
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