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DFT simulation of Mg/Al hydrotalcite with different intercalated anions: Periodic structure and solvating effects on the iodide/triiodide redox couple

Materials ScienceInorganic ChemistryDft SimulationRare Earth MineralEngineeringComputational GeochemistryMineral-fluid InteractionMg/al HydrotalcitePhysical ChemistryChemistryPeriodic StructureInorganic MaterialCrystallography