Downloads provided by UsageCountsStability and Reversible Oxidation of Sub‐Nanometric Cu 5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling**
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FWF| Heterogeneous catalysis on metallic nanoparticles
Buceta, David; Huseyinova, Shahana; Cuerva, Miguel; Lozano, Héctor; Giovanetti, Lisandro; Ramallo-López, José; López-Caballero, Patricia; +12 Authors
Buceta, David; Huseyinova, Shahana; Cuerva, Miguel; Lozano, Héctor; Giovanetti, Lisandro; Ramallo-López, José; López-Caballero, Patricia; Zanchet, Alexandre; Mitrushchenkov, Alexander; Hauser, Andreas; Barone, Giampaolo; Huck-Iriart, Cristián; Escudero, Carlos; Hernández-Garrido, Juan Carlos; Calvino, José Juan; López-Haro, Miguel; de Lara-Castells, María Pilar; Requejo, Félix; López-Quintela, M. Arturo;
Stability and Reversible Oxidation of Sub‐Nanometric Cu 5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling**
Abstract Sub‐nanometer metal clusters have special physical and chemical properties, significantly different from those of nanoparticles. However, there is a major concern about their thermal stability and susceptibility to oxidation. In situ X‐ray Absorption spectroscopy and Near Ambient Pressure X‐ray Photoelectron spectroscopy results reveal that supported Cu 5 clusters are resistant to irreversible oxidation at least up to 773 K, even in the presence of 0.15 mbar of oxygen. These experimental findings can be formally described by a theoretical model which combines dispersion‐corrected DFT and first principles thermochemistry revealing that most of the adsorbed O 2 molecules are transformed into superoxo and peroxo species by an interplay of collective charge transfer within the network of Cu atoms and large amplitude “breathing” motions. A chemical phase diagram for Cu oxidation states of the Cu 5 ‐oxygen system is presented, clearly different from the already known bulk and nano‐structured chemistry of Cu.
Argentina, France, Spain, Italy, France
X-ray photoelectron spectroscopy, Organic chemistry, OXIDATION, Engineering, [CHIM] Chemical Sciences, https://purl.org/becyt/ford/1.4, Materials Chemistry, Nanotechnology, Research Articles, Spectroscopy, nanotechnology, DENSITY FUNCTIONAL CALCULATIONS, Metal, Physics, NANOTECHNOLOGY, PHOTOELECTRON SPECTROSCOPY, X-RAY ABSORPTION SPECTROSCOPY, Nanoclusters, Thermal stability, Phase diagram, Photoelectron spectroscopy, Chemistry, Physical chemistry, Settore CHIM/03 - Chimica Generale E Inorganica, density functional calculations, Physical Sciences, Chemical stability, oxidation, Chemical physics, photoelectron spectroscopy, Materials Science, Metal-Support Interactions, Phase (matter), Formation and Properties of Nanocrystals and Nanostructures, Quantum mechanics, Chemical engineering, Oxidation, Structural and Functional Study of Noble Metal Nanoclusters, https://purl.org/becyt/ford/1, FOS: Chemical engineering, Molecule, X-ray absorption spectroscopy, Thermochemistry, Noble Metal Nanoclusters, Oxygen, Density functional calculations, Catalytic Nanomaterials, Adsorption
X-ray photoelectron spectroscopy, Organic chemistry, OXIDATION, Engineering, [CHIM] Chemical Sciences, https://purl.org/becyt/ford/1.4, Materials Chemistry, Nanotechnology, Research Articles, Spectroscopy, nanotechnology, DENSITY FUNCTIONAL CALCULATIONS, Metal, Physics, NANOTECHNOLOGY, PHOTOELECTRON SPECTROSCOPY, X-RAY ABSORPTION SPECTROSCOPY, Nanoclusters, Thermal stability, Phase diagram, Photoelectron spectroscopy, Chemistry, Physical chemistry, Settore CHIM/03 - Chimica Generale E Inorganica, density functional calculations, Physical Sciences, Chemical stability, oxidation, Chemical physics, photoelectron spectroscopy, Materials Science, Metal-Support Interactions, Phase (matter), Formation and Properties of Nanocrystals and Nanostructures, Quantum mechanics, Chemical engineering, Oxidation, Structural and Functional Study of Noble Metal Nanoclusters, https://purl.org/becyt/ford/1, FOS: Chemical engineering, Molecule, X-ray absorption spectroscopy, Thermochemistry, Noble Metal Nanoclusters, Oxygen, Density functional calculations, Catalytic Nanomaterials, Adsorption
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