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Adsorption Features of Tetrahalomethanes (CX(4); X = F, Cl, and Br) on β(12) Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study

The potentiality of the β(12) borophene (β(12)) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX(4); X = F, Cl, and Br) were investigated using density functional theory (DFT) methods. To provide a thorough understanding of the adsorption process, tetrel (XC-X(3)∙∙∙β(12)/GN)- an...

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Detalles Bibliográficos
Autores principales:	Ibrahim, Mahmoud A. A., Mahmoud, Amna H. M., Moussa, Nayra A. M., Mekhemer, Gamal A. H., Sayed, Shaban R. M., Ahmed, Muhammad Naeem, Abd El-Rahman, Mohamed K., Dabbish, Eslam, Shoeib, Tamer
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10386295/ https://www.ncbi.nlm.nih.gov/pubmed/37513348 http://dx.doi.org/10.3390/molecules28145476

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