Theoretical investigation of hydrated [Lu(OH)2]+ adsorption on kaolinite(0 0 1) surface with DFT calculations
Sen Qiu, Hao Wu, Huashan Yan, Xiaobo Li, Xiaowen Zhou, Tingsheng Qiu
Topics & Concepts
AdsorptionKaoliniteChemistryDensity functional theoryAntibonding molecular orbitalInorganic chemistryDeprotonationCoordination numberIon exchangeAqueous solutionHydrogen bondIonPhysical chemistryMoleculeComputational chemistryMineralogyElectronOrganic chemistryAtomic orbitalPhysicsQuantum mechanicsRadioactive element chemistry and processingGeochemistry and Elemental AnalysisNuclear materials and radiation effects