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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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Detalles Bibliográficos
Autores principales:	Choi, Changhyeok, Yoon, Sungho, Jung, Yousung
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179458/ https://www.ncbi.nlm.nih.gov/pubmed/34163628 http://dx.doi.org/10.1039/d0sc05632d

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