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Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II)

Materials ScienceInorganic ChemistrySurface CharacterizationEngineeringHeavy Metal CationsSurface ChemistrySurface AnalysisSurface ScienceSurface ComplexationPhysical ChemistryClay EdgesInterfacial StudyComputational ChemistryChemistryMolecular DynamicsSurface Reactivity