Quantum Chemical Studies on the Adsorption of Hexachlorobenzene, Decachlorobiphenyl, Benzene, and Biphenyl by BN-Doped Graphene and C-Doped Hexagonal Boron Nitride Modified with β-Cyclodextrin

Quantum Chemical Studies on the Adsorption of Hexachlorobenzene, Decachlorobiphenyl, Benzene, and Biphenyl by BN-Doped Graphene and C-Doped Hexagonal Boron Nitride Modified with β-Cyclodextrin

In this study, the adsorption of aromatic organic pollutants such as hexachlorobenzene, decachlorobiphenyl, benzene, and biphenyl by 2D nanomaterials was investigated using quantum chemical methods. The calculation results include reaction enthalpies, non-covalent intermolecular and intramolecular i...

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Bibliographic Details
Main Authors: Chien-Lin Lee, Tai-Chao Chang, Chia Ming Chang
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:Crystals
Subjects:
aromatic organic pollutant
graphene
hexagonal boron nitride
β-cyclodextrin
quantum chemical method
Online Access:https://www.mdpi.com/2073-4352/13/2/266

Internet

https://www.mdpi.com/2073-4352/13/2/266

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