Magnetic single atom catalyst in C2N to induce adsorption selectivity toward oxidizing gases

Abstract Density functional theory (DFT) method is used to study the effect of single-atom catalyst (SAC) of Mn embedded in C2N nanoribbon (C2N-NR) on the adsorption properties as an attempt to achieve selectivity. Many gases (e.g., CO, CO2, H2, H2O, H2S, N2 and O2) of interest to energy and environ...

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Autores principales: Muhammad Mushtaq, Nacir Tit
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/9fc37d8e25cf4be08518be1d33a0483f
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