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Magnetic single atom catalyst in C(2)N to induce adsorption selectivity toward oxidizing gases

Density functional theory (DFT) method is used to study the effect of single-atom catalyst (SAC) of Mn embedded in C(2)N nanoribbon (C(2)N-NR) on the adsorption properties as an attempt to achieve selectivity. Many gases (e.g., CO, CO(2), H(2), H(2)O, H(2)S, N(2) and O(2)) of interest to energy and...

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Detalles Bibliográficos
Autores principales: Mushtaq, Muhammad, Tit, Nacir
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8339005/
https://www.ncbi.nlm.nih.gov/pubmed/34349212
http://dx.doi.org/10.1038/s41598-021-95474-w