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

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

The potentiality of the <i>β</i><sub>12</sub> borophene (<i>β</i><sub>12</sub>) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX<sub>4</sub>; X = F, Cl, and Br) were investigated using density functional theory (DFT) me...

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Bibliographic Details
Main Authors: Mahmoud A. A. Ibrahim, Amna H. M. Mahmoud, Nayra A. M. Moussa, Gamal A. H. Mekhemer, Shaban R. M. Sayed, Muhammad Naeem Ahmed, Mohamed K. Abd El-Rahman, Eslam Dabbish, Tamer Shoeib
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Molecules
Subjects:
tetrahalomethanes
graphene nanosheet
borophene nanosheet
DFT
Online Access:https://www.mdpi.com/1420-3049/28/14/5476

Internet

https://www.mdpi.com/1420-3049/28/14/5476

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