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

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

The adsorption of toxic carbon dichalcogenides (CX<sub>2</sub>; X = O, S, or Se) on <i>β</i><sub>12</sub> borophene (<i>β</i><sub>12</sub>) and pristine graphene (GN) sheets was comparatively investigated. Vertical and parallel configuratio...

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Bibliographic Details
Main Authors: Mahmoud A. A. Ibrahim, Amna H. M. Mahmoud, Gamal A. H. Mekhemer, Ahmed M. Shawky, Mahmoud E. S. Soliman, Nayra A. M. Moussa
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Nanomaterials
Subjects:
graphene
borophene
carbon dichalcogenides
adsorption process
DFT
Online Access:https://www.mdpi.com/2079-4991/12/19/3411

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