A comparative study of CO catalytic oxidation on the single vacancy and di-vacancy graphene supported single-atom iridium catalysts: A DFT analysis
Aykan Akça, Onur Karaman, Ceren Karaman, Necip Atar, Mehmet Lütfi Yola
Topics & Concepts
IridiumVacancy defectCatalysisDensity functional theoryMaterials scienceGrapheneAdsorptionPhotochemistryMoleculeOxidation stateAtom (system on chip)SelectivityPhysical chemistryCrystallographyComputational chemistryNanotechnologyChemistryOrganic chemistryComputer scienceEmbedded systemCatalytic Processes in Materials ScienceElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques