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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Polychronopoulou, Kyriaki
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (12/12 displayed)
- 2023Synthesis, characterization, and preliminary insights of ZnFe2O4 nanoparticles into potential applications, with a focus on gas sensingcitations
- 2022Towards maximizing conversion of ethane and carbon dioxide into synthesis gas using highly stable Ni-perovskite catalystscitations
- 2021Continuous selective deoxygenation of palm oil for renewable diesel production over Ni catalysts supported on Al2O3 and La2O3–Al2O3citations
- 2021Design Aspects of Doped CeO2 for Low-Temperature Catalytic CO Oxidation: Transient Kinetics and DFT Approach
- 2021Highly selective and stable nickel catalysts supported on ceria promoted with Sm2O3, Pr2O3 and MgO for the CO2 methanation reactioncitations
- 2020Cu, Sm co-doping effect on the CO oxidation activity of CeO2. A combined experimental and density functional studycitations
- 2020The effect of noble metal (M: Ir, Pt, Pd) on M/Ce2 O3-γ-Al2 O3 catalysts for hydrogen production via the steam reforming of glycerolcitations
- 2019Investigating the correlation between deactivation and the carbon deposited on the surface of Ni/Al2O3 and Ni/La2O3-Al2O3 catalysts during the biogas reforming reactioncitations
- 2019The relationship between reaction temperature and carbon deposition on nickel catalysts based on Al2O3, ZrO2 or SiO2 supports during the biogas dry reforming reactioncitations
- 2018Underwater Robotic Welding of Lap Joints with Sandwiched Reactive Multilayers: Thermal, Mechanical and Material Analysiscitations
- 2018The effect of Ni addition onto a Cu-based ternary support on the H2 production over glycerol steam reforming reactioncitations
- 2018The effect of Ni addition onto a Cu-based ternary support on the H₂ production over glycerol steam reforming reactioncitations
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document
Design Aspects of Doped CeO2 for Low-Temperature Catalytic CO Oxidation: Transient Kinetics and DFT Approach
Abstract
CO elimination through oxidation over highly active and cost-effective catalysts is a way forward for many processes of industrial and environmental importance. In this study, doped CeO2 with transition metals (TM = Cu, Co, Mn, Fe, Ni, Zr, and Zn) at a level of 20 at. % was tested for CO oxidation. The oxides were prepared using microwave-assisted sol–gel synthesis to improve catalyst's performance for the reaction of interest. The effect of heteroatoms on the physicochemical properties (structure, morphology, porosity, and reducibility) of the binary oxides M–Ce–O was meticulously investigated and correlated to their CO oxidation activity. It was found that the catalytic activity (per gram basis or TOF, s–1) follows the order Cu–Ce–O > Ce–Co–O > Ni–Ce–O > Mn–Ce–O > Fe–Ce–O > Ce–Zn–O > CeO2. Participation of mobile lattice oxygen species in the CO/O2 reaction does occur, the extent of which is heteroatom-dependent. For that, state-of-the-art transient isotopic 18O-labeled experiments involving 16O/18O exchange followed by step-gas CO/Ar or CO/O2/Ar switches were used to quantify the contribution of lattice oxygen to the reaction. SSITKA-DRIFTS studies probed the formation of carbonates while validating the Mars–van Krevelen (MvK) mechanism. Scanning transmission electron microscopy-high-angle annular dark field imaging coupled with energy-dispersive spectroscopy proved that the elemental composition of dopants in the individual nanoparticle of ceria is less than their composition at a larger scale, allowing the assessment of the doping efficacy. Despite the similar structural features of the catalysts, a clear difference in the Olattice mobility was also found as well as its participation (as expressed with the α descriptor) in the reaction, following the order αCu > αCo> αMn > αZn. Kinetic studies showed that it is rather the pre-exponential (entropic) factor and not the lowering of activation energy that justifies the order of activity of the solids. DFT calculations showed that the adsorption of CO on the Cu-doped CeO2 surface is more favorable (−16.63 eV), followed by Co, Mn, Zn (−14.46, −4.90, and −4.24 eV, respectively), and pure CeO2 (−0.63 eV). Also, copper compensates almost three times more charge (0.37e−) compared to Co and Mn, ca. 0.13e− and 0.10e−, respectively, corroborating for its tendency to be reduced. Surface analysis (X-ray photoelectron spectroscopy), apart from the oxidation state of the elements,...