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Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites

Materials ScienceTransition Metal ChalcogenidesCatalytic MaterialEngineeringNatural SciencesSurface ScienceH2–h2s/mos2 Gas–solid InterfaceHeterogeneous CatalysisCatalytically Active SitesAb Initio StudyCatalysisHydrogenChemistryCatalyst ActivationInterfacial Chemistry