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Insight of DFT and atomistic thermodynamics on the adsorption and insertion of halides onto the hydroxylated NiO(111) surface

EngineeringSurface ChemistrySurface ScienceApplied PhysicsChemisorptionPhysical ChemistryAtomistic ThermodynamicsCatalysisAdsorptionChemistryHydrogenHydroxylated NioSurface Reactivity