Structural and mechanistic insights into low-temperature CO oxidation over a prototypical high entropy oxide by Cu L-edge operando soft X-ray absorption spectroscopy
Francesco Tavani, Martina Fracchia, Alessandro Tofoni, Luca Braglia, Andrea Jouve, Sara Morandi, Maela Manzoli, Piero Torelli, Paolo Ghigna, P. D’Angelo
Abstract
is produced while bidentate carbonate moieties remain interacting with the Cu(I) sites. We structurally characterize the carbonate and CO preferential adsorption geometries on the Cu(I) surface metal centers, and find that CO adopts a bent conformation that may energetically favor its subsequent oxidation. The unique surface, structural and electronic sensitivity of soft-XAS coupled with the developed data analysis work-flow and supported by FT-IR spectroscopy may be beneficial to characterize often elusive surface properties of systems of catalytic interest.
Topics & Concepts
X-ray absorption spectroscopyAdsorptionOxideDensity functional theoryAbsorption spectroscopySpectroscopyChemistryCarbonateDenticityMetalMoleculeInfrared spectroscopyInorganic chemistryMaterials sciencePhysical chemistryComputational chemistryOrganic chemistryQuantum mechanicsPhysicsHigh Entropy Alloys StudiesHigh-Temperature Coating BehaviorsAdvanced materials and composites