Adsorption of hydrated [Y(OH)2]+ on kaolinite (001) surface: Insight from DFT simulation
Tingsheng Qiu, Sen Qiu, Hao Wu, Huashan Yan, Xiaobo Li, Xiaowen Zhou
Topics & Concepts
AdsorptionKaoliniteHydrogen bondChemistryDensity functional theoryAqueous solutionInorganic chemistryBinding energyMulliken population analysisLayer (electronics)Physical chemistryIonCrystallographyComputational chemistryMoleculeMineralogyOrganic chemistryNuclear physicsPhysicsClay minerals and soil interactionsIron oxide chemistry and applicationsGeochemistry and Elemental Analysis