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1.
Photocatalytic activity of Zr and Mn co-doped TiO2 in aqueous media
Urška Lavrenčič Štangar, O. L. Pliekhov, Nataša Novak Tušar, 2015, published scientific conference contribution abstract

Found in: ključnih besedah
Summary of found: ... mechanism, influence of dopants, Mn scavenger of hydroxyl...
Keywords: mechanism, influence of dopants, Mn scavenger of hydroxyl radicals
Published: 01.02.2016; Views: 2332; Downloads: 1
.pdf Fulltext (4,20 MB)

2.
Synthesis of a Cu/ZnO Nanocomposite by Electroless Plating for the Catalytic Conversion of CO2 to Methanol
Maja Pori, Iztok Arčon, Marjan Marinšek, Goran Dražić, Blaž Likozar, Zorica Crnjak Orel, Damjan Lašič Jurković, 2019, original scientific article

Abstract: The process of methanol synthesis based on the hydrogenation of CO2 was investigated over binary Cu/ZnO catalyst materials, prepared by applying a novel electroless plating fabrication method. The activity of the produced catalytic samples was determined at temperature range between 200 and 300 °C and the feedstock conversion data were supplemented with a detailed microstructure analysis using high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction (XRD) and Cu and Zn K-edge, X-ray absorption near-edge structure (XANES) measurements and extended X-ray absorption fine-structure (EXAFS) measurements. It was confirmed that the disorder in the Cu crystallites created unique geometrical situations, which acted as the additional reactive centres for the adsorption of the reactant molecule species. Copper and zinc structural synergy (spill-over) was also demonstrated as being crucial for the carbon dioxide’s activation. EXAFS and XANES results provide strong evidence for surface alloying between copper and zinc and thus the present results demonstrate new approach applicable for explaining metal–support interactions.
Found in: ključnih besedah
Summary of found: ...EXAFS, CuZn alloy, Spillover mechanism, CO2 valorization, Electroless deposition method, Heterogeneous catalysis...
Keywords: EXAFS, CuZn alloy, Spillover mechanism, CO2 valorization, Electroless deposition method, Heterogeneous catalysis
Published: 12.04.2019; Views: 910; Downloads: 0
.pdf Fulltext (1,92 MB)

3.
Effect of Na, Cs and Ca on propylene epoxidation selectivity over CuOx/SiO2 catalysts studied by catalytic tests, in-situ XAS and DFT
Janvit Teržan, Matej Huš, Iztok Arčon, Blaž Likozar, Petar Djinović, 2020, original scientific article

Abstract: This research focuses on epoxidation of propylene over pristine, Na, Ca and Cs modified CuOx/SiO2 catalysts using O2. The selectivity of the reaction is analyzed using a combination of catalytic tests, in-situ XAS and DFT calculations. The initially present subnanometer CuO clusters are present in all catalysts which re-disperse/flatten during reaction. During catalytic reaction, the Cu1+ becomes the predominant oxidation state. There is no correlation between propylene oxide (PO) selectivity and copper oxidation state. DFT analysis of the propylene reaction pathway revealed that Na, Cs, and Ca addition decreases the bonding strength of propylene to CuO and decreases the O2 activation barrier, while simultaneously increase the exothermicity of O2 dissociation. The Na induced Cu-O bond modification decreases the activation barrier from 0.87 to 0.71 eV for the oxametallacycle (OMC) ring closure (first step in the reaction pathway favoring selectivity towards PO) compared to pristine 5Cu catalyst. At the same time, we observed an increase (from 0.45 to 0.72 eV) of the barrier for the abstraction of allylic hydrogen. The opposite effect is achieved by Ca addition: the activation barrier for OMC ring closure increases to 1.08 eV and that for allylic hydrogen stripping decreases to 0.16 eV.
Found in: ključnih besedah
Summary of found: ...Alkali modification, propylene epoxidation, reaction mechanism, copper oxide, activation barrier....
Keywords: Alkali modification, propylene epoxidation, reaction mechanism, copper oxide, activation barrier.
Published: 05.06.2020; Views: 360; Downloads: 0
.pdf Fulltext (22,78 MB)

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