How Size Matters: Electronic, Cooperative, and Geometric Effect in Perovskite-Supported Copper Catalysts for CO<sub>2</sub> Reduction
D. Kopač, Blaž Likozar, Matej Huš
Abstract
show a higher CO formation rate, resulting in a decreasing RWGS model trend with the increasing Cu island size. The findings are in parallel with experiments, showing that they explain the previously observed phenomena and confirming the size sensitivity for the catalytic RWGS reaction.
Topics & Concepts
CatalysisHydrogen spilloverCopperKinetic Monte CarloPerovskite (structure)BifunctionalHeterogeneous catalysisYield (engineering)ChemistryChemical physicsChemical engineeringDensity functional theoryBifunctional catalystMaterials sciencePhysical chemistryCrystallographyComputational chemistryMonte Carlo methodMathematicsMetallurgyStatisticsOrganic chemistryEngineeringBiochemistryCatalysts for Methane ReformingCO2 Reduction Techniques and CatalystsCatalytic Processes in Materials Science