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Adsorption Behavior of Toxic Carbon Dichalcogenides (CX(2); X = O, S, or Se) on β(12) Borophene and Pristine Graphene Sheets: A DFT Study

The adsorption of toxic carbon dichalcogenides (CX(2); X = O, S, or Se) on β(12) borophene (β(12)) and pristine graphene (GN) sheets was comparatively investigated. Vertical and parallel configurations of CX(2)⋯β(12)/GN complexes were studied herein via density functional theory (DFT) calculations....

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Detalles Bibliográficos
Autores principales:	Ibrahim, Mahmoud A. A., Mahmoud, Amna H. M., Mekhemer, Gamal A. H., Shawky, Ahmed M., Soliman, Mahmoud E. S., Moussa, Nayra A. M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9565509/ https://www.ncbi.nlm.nih.gov/pubmed/36234539 http://dx.doi.org/10.3390/nano12193411

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