Mechanism of CO2 hydrogenation to methanol on the W-doped Rh(111) surface unveiled by first-principles calculation

Qin Chen, Xin Chen, Qiang Ke

2022Colloids and Surfaces A Physicochemical and Engineering Aspects18 citationsDOI

Topics & Concepts

CatalysisAdsorptionChemistryMethanolRhodiumReaction mechanismDopingElementary reactionTungstenPhysical chemistryComputational chemistryMaterials scienceOrganic chemistryKineticsPhysicsOptoelectronicsQuantum mechanicsCatalysts for Methane ReformingCatalytic Processes in Materials ScienceCO2 Reduction Techniques and Catalysts