Modeling thermocatalytic systems for CO <sub>2</sub> hydrogenation to methanol
Jikai Sun, Jianzhong Wu
Abstract
carboxy pathways, and the difference in HCOO* hydrogenation activity between Cu (111) and Cu (211) surfaces. The theoretical analysis offers a new perspective for optimizing reaction conditions and catalyst performance in methanol synthesis and can be generalized to enhance our understanding of heterogeneous catalysis under industrially relevant conditions.
Topics & Concepts
MethanolMaterials scienceChemistryChemical engineeringOrganic chemistryEngineeringCatalysts for Methane ReformingCatalysis and Oxidation ReactionsCatalytic Processes in Materials Science