Quantum chemical studies on the adsorption of hexachlorobenzene, decachlorobiphenyl, benzene, and biphenyl by bn-doped graphene and c-doped hexagonal boron nitride modified with -cyclodextrin

HIGHLIGHTS

  • who: Chien-Lin Lee and collaborators from the Environmental Sciences, National Chung Hsing University, Taichung, Taiwan have published the research work: Quantum Chemical Studies on the Adsorption of Hexachlorobenzene, Decachlorobiphenyl, Benzene, and Biphenyl by BN-Doped Graphene and C-Doped Hexagonal Boron Nitride Modified with -Cyclodextrin, in the Journal: Crystals 2023, 266 of 14/06/2021
  • what: In this study the adsorption of aromatic organic pollutants such as and by 2D nanomaterials was investigated using quantum chemical methods.

SUMMARY

    Reaction Enthalpy (∆Hf ) (kcal/mol) CC_BN1 CC_BN2 h-BN_CC1 h-BN_CC2 CC_BN1_BCD . . .

     

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