Search results for "CeO2"
showing 10 items of 23 documents
Use of site symmetry in supercell models of defective crystals: Polarons in CeO2
2017
The authors thank R. Merkle and G. W. Watson for stimulating discussions. E. K. also acknowledges partial financial support from the Russian Science Foundation for the study of charged defects under the project 14-43-00052. A. C. also acknowledges financial support from the University of Latvia Foundation (Arnis Riekstins's "MikroTik" donation). E. K. and D. G. express their gratitude to the High Performance Computer Centre in Stuttgart (HLRS, project DEFTD 12939) for the provided computer facilities whereas R. A. E. thanks the St. Petersburg State University Computer Center for assistance in high-performance calculations.
Metal-support and preparation influence on the structural and electronic properties of gold catalysts
2006
Abstract Nanostructured gold catalysts supported on CeO2 and SiO2 were prepared by the deposition–precipitation (DP) and the solvated metal atom dispersion (SMAD) techniques. The structural and electronic properties of the catalysts were investigated by X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS). Gold was found as small metal nanoparticles (cluster size ∼2 nm) in the SMAD-prepared samples and in ionic state in the DP catalysts. The catalytic activity of the samples was tested in the reaction of low temperature CO oxidation. Gold nanosized particles in a pure metallic state exhibited a worse catalytic performance, both on ceria and…
Mesoporous SBA-15 silica modified with cerium oxide: Effect of ceria loading on support modification
2010
Abstract The present work investigates the effect of ceria loading on silica SBA-15. Five CeO2/SBA-15 samples with CeO2 content equal to 5, 10, 15, 20 and 30 wt% were prepared by wetness-impregnation of the support with cerium nitrate hexahydrate, as precursor, dissolved in ethanol. After drying at room temperature, the resulting samples were calcined at 400 °C for 2h. Characterizations by BET surface area and pore-size distribution, XRD, NH3-TPD and H2-TPR were performed.
Structure and the metal-support interaction of the Au/Mn oxide catalysts
2010
Gold catalysts with loading 1 and 10 wt % were-prepared by deposition precipitation method with urea over mesoporous manganese oxide, obtained through a surfactant-assisted procedure by using cetyltrimethylammonium bromide (CTAB), followed by treatment with sulphuric acid. For comparison, Au(10 wt %) was also deposited over commercial CeO2 and SiO2 supports. The materials were characterized by XRD and EXAFS at the Mn K and Au L-III edges and XPS. Moreover, the analyses were performed on the samples treated under 1%CO/He, at 250 degrees C for 90 min. The structural and surface results of the as prepared manganese oxide confirmed the formation of gamma-MnO2 along with some amorphous Mn3O4 upo…
The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2
2023
Single Atom Catalysts (SACs) have shown that the miniaturization of the active site implies new phenomena like dynamic charge transfer between isolated metal atoms and the oxide. To obtain direct proof of this character is challenging, as many experimental techniques provide averaged properties or have limitations with poorly conductive materials, leaving kinetic measurements from catalytic testing as the only reliable reference. Here we present an integrated Density Functional Theory-Microkinetic model including ground and metastable states to address the reactivity of Pt1/CeO2 for CO oxidation. Our results agree with experimentally available kinetic data in the literature and show that CO…
A Solar Photothermocatalytic approach for the CO2 conversion: Investigation of different synergisms on CoO-CuO/Brookite TiO2-CeO2 catalysts
2022
Abstract The photoactive features of the least common polymorph of TiO2, i.e. brookite, were combined with the thermocatalytic redox ones of cerium oxide, focusing on the effects of the addition of small amounts of Co-Cu oxides for the solar CO2 conversion. By considering the characterization data, a surface segregation of the hosted metal oxides on the TiO2-CeO2 composite was evidenced, and their presence increased the amount of oxygen vacancies and improved the charge carriers separation. The bimetallic oxides-based sample was the most performing one in the photocatalytic carbon dioxide reduction at room temperature. The formation of carbon monoxide and methane was 5 and 0.5 μmol g−1h−1, …
Dopant solubility in ceria: alloy thermodynamics combined with the DFT+U calculations
2018
This research was partly funded by the Russian Science Foundation (under the project 14-43-0005) and ERA-NET HarvEnPiez project, with the computer resources provided by Stuttgart Supercomputing Centre (Project DEFTD 12939). A. C. also acknowledges financial support from the University of Latvia Foundation (Arnis Riekstins’s ‘‘MikroTik’’ donation). Authors thank R. Merkle, A. Popov for fruitful discussions.
Co3O4 particles grown over nanocrystalline CeO2: influence of precipitation agents and calcination temperature on the catalytic activity for methane …
2015
Crystalline cobalt oxides were prepared by a precipitation method using three different precipitation agents, (NH4)(2)CO3, Na2CO3 and CO(NH2)(2). Cobalt oxide nanoparticles corresponding to a Co3O4 loading of 30 wt% were also deposited over high-surface area nanocrystalline ceria by the same precipitation agents. The effect of calcination temperature, 350 or 650 degrees C, on the morphological and structural properties was evaluated. Characterization by BET, XRD, SEM, TEM, Raman spectroscopy, H-2-TPR, XPS and NH3-TPD was performed and the catalytic properties were explored in the methane oxidation reaction. The nature of the precipitation agent strongly influenced the textural properties of…
Dynamic Role of Gold d-Orbitals during CO Oxidation under Aerobic Conditions
2022
High-energy-resolution fluorescence detection-X-ray absorption near-edge structure (HERFD-XANES) at the Au L3 edge was used to study gold catalysts supported on ceria in order to unravel the role of gold 5d orbital modifications during the activation of molecular oxygen. The variations in the HERFD-XANES resonance peak, which are directly correlated with the d-band occupancy, were monitored in situ during the redox process of the CO oxidation at room temperature under both aerobic and anaerobic conditions. Interestingly, upon the oxidation treatment and also during the aerobic CO oxidation treatment, the gold d-band fluctuates around an average value, proving that the gold clusters are part…
Photocatalytic and photothermocatalytic applications of cerium oxide-based materials
2020
Abstract Cerium dioxide (CeO2) presents unique properties as the special electronic and optical properties of the 4f electrons, the capacity to form nonstoichiometric oxygen-deficient CeO2 − x oxides, the high oxygen mobility, and the reversible transformation between Ce4 + and Ce3 + that make it interesting for photocatalytic applications. CeO2 is a wide bandgap semiconductor (3.0–3.4 eV), but different approaches as combination with oxides, deposition of noble metals, doping with metal and nonmetal species, and the formation of surface defects have been adopted to extend its absorption towards the visible region with the aim to improve its photocatalytic performance. Cerium oxide-based ma…