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Theoretical assessments of CO2 activation and hydrogenation pathways on transition-metal surfaces

Michelle A. Nolen, Sean A. Tacey, Stephanie Kwon, Carrie A. Farberow

2023Applied Surface Science35 citationsDOIOpen Access PDF

Topics & Concepts

Transition metalCatalysisChemistryDissociation (chemistry)Density functional theorySelectivityDesorptionTransition stateMetalAdsorptionCarbon fibersPhotochemistryChemical physicsComputational chemistryPhysical chemistryMaterials scienceOrganic chemistryComposite numberComposite materialCatalysts for Methane ReformingCarbon dioxide utilization in catalysisCO2 Reduction Techniques and Catalysts
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