Chemistry of Materials · 2022 · 29 citations · 99 references
Natural SciencesChemistryMaterials ScienceCatalysisPhysical ChemistrySurface ScienceMetal Oxide NanomaterialsMetal OxidesNanoparticle InterfacesNanoparticle SurfacesSurface PhysicsX-ray Photoelectron SpectroscopyCatalyst Structure - Activity RelationshipsCharge-state DistributionMetal NanoparticlesMetal-support InteractionsNanoparticlesOxygen VacanciesStrong Metal-support InteractionSurface Oxidation States
atoms near oxygen vacancies at the ceria surface. This charge redistribution is consistent with the evolution of the vibrational frequencies of CO adsorbed on Au particles obtained using diffuse reflectance infrared Fourier transform spectroscopy.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17
Atoms in Molecules — a Quantum Theory
W.J. Orville-Thomas · Journal of Molecular Structure THEOCHEM · 1996 · 2.9K citations
Natural Sciences, Chemistry, Physics +12