First-principles investigation of methanol synthesis from CO2 hydrogenation on Cu@Pd core–shell surface
Jiangshan Liu, Qiang Ke, Xin Chen
Topics & Concepts
CatalysisWater-gas shift reactionAdsorptionDensity functional theoryCluster (spacecraft)Shell (structure)MethanolMaterials scienceReaction mechanismPhysical chemistryChemistryComputational chemistryOrganic chemistryComposite materialProgramming languageComputer scienceCatalysts for Methane ReformingCarbon dioxide utilization in catalysisCO2 Reduction Techniques and Catalysts