Effective removal of toxic heavy metal ions from wastewater using boroxine covalent organic framework

Journal of Molecular Liquids（2021）

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摘要

•The first DFT study on the adsorption of pollutant Cd2+, Hg2+, and Pb2+ ions on boroxine.•Detailed analysis of possible charge transfers between the cations and the boroxine.•TDDFT analysis showed “ligand to metal charge transfer” excitations for the complexes.

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关键词

Covalent organic framework,Boroxine,Heavy metals,Wastewater treatment,Density functional theory

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