Adsorption and diffusion of O atoms on metallic (1 0 0) surfaces. Cluster and periodic slab approaches
Elizabeth del V. Gómez, Maxi A. Burgos Paci, S. Amaya-Roncancio, Lucı́a B. Avalle, M. Cecilia Giménez
Topics & Concepts
ChemistryAdsorptionSlabCluster (spacecraft)DiffusionMetalAtom (system on chip)Density functional theoryPhysical chemistryOxygenChemical physicsAtomic physicsComputational chemistryCrystallographyThermodynamicsPhysicsOrganic chemistryProgramming languageGeophysicsComputer scienceEmbedded systemCatalytic Processes in Materials ScienceAdvanced Chemical Physics Studiesnanoparticles nucleation surface interactions