DFT insight into Cd2+, Hg2+, Pb2+, Sn2+, As3+, Sb3+, and Cr3+ heavy metal ions adsorption onto surface of bowl-like B30 nanosheet
Sadegh Kaviani, D. A. Tayurskiı̆, Oleg V. Nedopekin, Irina Piyanzina
Topics & Concepts
NanosheetAdsorptionMetal ions in aqueous solutionChemistryDensity functional theoryHOMO/LUMOCovalent bondIonNatural bond orbitalInorganic chemistryPhysical chemistryMaterials scienceCrystallographyMoleculeComputational chemistryOrganic chemistryChemical Synthesis and CharacterizationPolymer Nanocomposite Synthesis and IrradiationAdsorption and biosorption for pollutant removal