Exploring CO <sub>2</sub> hydrogenation to methanol at a CuZn–ZrO <sub>2</sub> interface <i>via</i> DFT calculations
Aku Lempelto, Lars Gell, Toni Kiljunen, Karoliina Honkala
Abstract
Multi-component heterogeneous catalysts are among the top candidates for converting greenhouse gases into valuable compounds.
Topics & Concepts
CatalysisMethanolGreenhouse gasComponent (thermodynamics)Interface (matter)Materials scienceChemical engineeringHeterogeneous catalysisInorganic chemistryPhysical chemistryChemistryThermodynamicsPhysicsOrganic chemistryAdsorptionEcologyEngineeringGibbs isothermBiologyCarbon dioxide utilization in catalysisCatalytic Processes in Materials ScienceCatalysts for Methane Reforming