A microkinetic study of CO<sub>2</sub> hydrogenation to methanol on Pd<sub>1</sub>–Cu(111) and Pd<sub>1</sub>–Ag(111) catalysts: a DFT analysis
Abdulrauf Onimisi Ibrahim, Wan Mohd Ashri Wan Daud, Muhamad Fazly Abdul Patah, Ahmed Halilu, Joon Ching Juan, Gazali Tanimu
Abstract
We explored the complex reaction routes of hydrogenating CO 2 to CH 3 OH on palladium single-atom alloy catalysts using microkinetic reaction modelling and mechanisms.
Topics & Concepts
CatalysisPalladiumMethanolChemistryAtom (system on chip)Reaction mechanismPhysical chemistryAlloyInorganic chemistryOrganic chemistryComputer scienceEmbedded systemCatalysts for Methane ReformingCatalytic Processes in Materials ScienceCO2 Reduction Techniques and Catalysts