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Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number
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 p...
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| Publicado no: | Chem Sci |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society of Chemistry
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8179458/ https://ncbi.nlm.nih.gov/pubmed/34163628 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc05632d |
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