Aggregation and support effects in the oxidation of fluxional atomic metal clusters. The paradigmatic Cu<sub>5</sub> case
Jaime Garrido-Aldea, María Pilar de Lara‐Castells
Abstract
species, delivering states with very similar energies to those characterized by molecular chemisorption. A Boltzmann-weighted average of the free energies of formation is computed as well, coming up with a diagram of the dominant copper oxidation states as a function of temperature and oxygen gas pressure.
Topics & Concepts
MetalCrystallographyCopperChemical physicsChemistryMaterials scienceAtomic physicsComputational chemistryPhysicsMetallurgyCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsAdvanced Chemical Physics Studies