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Structural and CO [sub] 2 capture properties of ethylenediamine-modified HKUST-1 metal-organic framework
Janez Kovač, Angela Terracina, Gianpiero Buscarino, Matjaž Mazaj, Nika Vrtovec, S. Agnello, Iztok Arčon, Nataša Zabukovec Logar, 5, original scientific article

Found in: ključnih besedah
Summary of found: ...functionalization, modification, adsorption, extended X-ray absorption fine structure, materials...
Keywords: functionalization, modification, adsorption, extended X-ray absorption fine structure, materials
Published: 17.10.2020; Views: 861; Downloads: 0

Zr and Cu modified TiO2 photocatalysts for water treatment
Olena Pliekhova, Urška Lavrenčič Štangar, 2016, published scientific conference contribution abstract

Found in: ključnih besedah
Keywords: TiO2, water treatment, surface modification
Published: 23.08.2017; Views: 2520; Downloads: 0
.pdf Fulltext (564,11 KB)

Structural analysis of sunlight efficient Cu and Zr modified TiO2 photocatalyst
Olena Pliekhova, Iztok Arčon, Urška Lavrenčič Štangar, 2017, published scientific conference contribution abstract

Found in: ključnih besedah
Keywords: TiO2, photocatalysis, EXAFS, surface modification
Published: 23.08.2017; Views: 2421; Downloads: 0
.pdf Fulltext (577,74 KB)

Contribution of Cu and Zr to the Properties of TiO2 for Photocatalytic Water Treatment
Olena Pliekhova, Iztok Arčon, Nataša Novak Tušar, Urška Lavrenčič Štangar, 2017, published scientific conference contribution abstract

Found in: ključnih besedah
Summary of found: ...Photocatalysis, water treatment, surface modification, durability...
Keywords: Photocatalysis, water treatment, surface modification, durability
Published: 23.08.2017; Views: 2541; Downloads: 0
.pdf Fulltext (509,62 KB)

Crystal habit modification of Cu(II) isonicotinate-N-oxide complexes using gel phase crystallisation
Jonathan Steed, Žygimantas Drabavičius, Katja Ferfolja, Dipankar Ghosh, Krishna Kumar Damodaran, 20, original scientific article

Abstract: We report the crystallisation of three forms of copper(II) isonicotinate-N-oxide complex and their phase interconversion via solvent-mediated crystal to crystal transformation. The different forms of copper complex have been isolated and characterised by single crystal X-ray diffraction. Gel phase crystallisation performed in hydrogels, low molecular weight gels and gels of tailored gelator showed crystal habit modification. Crystallisation in aqueous ethanol resulted in concomitant formation of blue (form-I) and green (form-II/IV) crystals while use of low molecular weight gel results in selective crystallization of the blue form-I under identical conditions. Comparison of gel phase and the solution state crystallisation in various solvent compositions reveals that the blue form-I is the thermodynamically stable form under ambient conditions.
Found in: ključnih besedah
Keywords: copper(II) complex, gel phase crystallisation, crystal habit modification, isonicotinate-N-oxide, X-ray diffraction
Published: 08.11.2018; Views: 1640; Downloads: 0
.pdf Fulltext (968,24 KB)

Cu and Zr surface sites in photocatalytic activity of TiO [sub] 2 nanoparticles
Olena Pliekhova, O. L. Pliekhov, Mattia Fanetti, Iztok Arčon, Nataša Novak Tušar, Urška Lavrenčič Štangar, 2019, original scientific article

Abstract: The present work is focused on the role of ZrO2 modification in the performance of CuO modified TiO2. Zirconia loading leads to formation of more resistant photocatalytic layers compared to samples modified with only copper containing species. Surface modification of mixed phase TiO2 with CuO/ZrO2 improves the degradation of Reactive blue 19 dye under simulated solar irradiation. An in-depth investigation of the catalysts showed that in case of CuO/ZrO2 modification, the covering of the TiO2 surface with zirconium containing species prevents morphological and harmful energetic changes induced by copper species formed on the rutile TiO2 phase at a higher copper loading.
Found in: ključnih besedah
Summary of found: focused on the role of ZrO2 modification in the performance of CuO modified TiO2....
Keywords: titanium dioxide, surface modification, XAS analysis, surface acidity, Hammett indicators
Published: 26.03.2019; Views: 1515; Downloads: 0
.pdf Fulltext (996,21 KB)

Olena Pliekhova, 2019, doctoral dissertation

Abstract: This work entitled «Zr/Cu-TiO2 catalysts for photocatalytic water treatment» tackles a problem of tons of dyes discharged everyday mainly from textile industries. This is a huge concern because of dyes persistence, toxicity and potential to the bioaccumulation in living organisms. Here, a small contribution to overall problem is presented. The research work consists of three main parts: Theoretical background, Experimental and Results and discussion. In the Theoretical background chapter the overall problem is identified and discussed. The main water treatment techniques are presented briefly with their advantages and drawbacks. Photocatalysis assisted with TiO2 is shown as an alternative additional technique with its own pros and cons. Further, a cursory overview of TiO2 modification techniques is made and advantages in using copper and zirconium oxides for TiO2 modification are presented. The reason and possible positive effect of using of two oxides simultaneously for TiO2 modification is indicated. Additionally, a positive impact of solar light for overall rate of dyes degradation assisted with TiO2 is discussed. Within the framework of photosensitization effect, the problem of using dyes for assessment of photocatalytic properties of materials under the visible light is touched on. Photothermal methods as possible beneficial techniques for this purpose are proposed. In the Experimental chapter, all experimental techniques used in current research work with the technical details specific for the research work are presented. There are methods of materials preparation, photocatalytic tests under different conditions and varying model pollutants, and physico-chemical characterization techniques. The Results and discussion chapter is divided by three subchapters. Each chapter is dedicated to one hypothesis, which was checked and confirmed or disproved. The first hypothesis is about beneficial loading of copper and zirconium oxides to TiO2. After numerous experiments held, it was concluded that the pair of copper and zirconium oxides is beneficial for simultaneous application on TiO2 surface to promote its performance. The second subchapter is about zirconium distribution and its impact on the activity of studied materials towards the antraquinone dye Reactive Blue 19. Different techniques such as XRD, TEM, EXAFS and many others were used in order to characterize the materials and to understand the details of the processes taking place. The existence of upper limit of copper oxide loading for its beneficial effect on TiO2 performance was demonstrated. It was observed that zirconium species loading leads to improvement in performance of materials with higher copper loading, which otherwise lowers activity of TiO2 – this is in case when copper only above its optimal level is present. It was concluded that zirconium oxide containing species occupy rutile surface sites in mixed phase TiO2 and this way beneficially influence the material performance towards the dye removal. The third subchapter is about the visible light TiO2 assisted dye degradation. It is well known that photosensitization mechanism of dye degradation appears under the visible and as a consequence under the solar light irradiation. This leads to the overall enhancement of dyes degradation, which is positive and may be used as a benefit for faster pollutant destruction. However, this fact leads to mishmash in the determination of real photocatalytic activity of materials towards the dye. It was hypothesized that the impact of photosensitization mechanism on the overall material performance against Reactive blue 19 dye (RB19) descends with the dye concentration lowering. Thermal lens spectrometry (TLS) which is sensitive to chemicals at low concentrations was used for hypothesis evaluation. To summarize the research work achievements, the conclusions of the thesis are given at the end.
Found in: ključnih besedah
Summary of found: ...cons. Further, a cursory overview of TiO2 modification techniques is made and advantages in using...
Keywords: titanium dioxide, photocatalysis, zirconium/copper, surface modification, water treatment, dyes
Published: 03.12.2019; Views: 2068; Downloads: 54
.pdf Fulltext (3,18 MB)

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: ...O2 dissociation. The Na induced Cu-O bond modification decreases the activation barrier from 0.87 to 0.71...
Keywords: Alkali modification, propylene epoxidation, reaction mechanism, copper oxide, activation barrier.
Published: 05.06.2020; Views: 1084; Downloads: 0
.pdf Fulltext (22,78 MB)

Chemical (in)stability of interfaces between different metals and Bi[sub]2Se[sub]3 topological insulator
Sandra Gardonio, Matjaž Valant, Katja Ferfolja, Mattia Fanetti, 2018, published scientific conference contribution abstract

Abstract: In recent years a classification of materials based on their topological order gained popularity due to the discovery of materials with special topological character – topological insulators (TI). TI have different band structure than regular insulators or conductors. They are characterized by a band gap in the bulk of the material, but at the surface they possess conductive topological surface states (TSS) that cross the Fermi level. TSS are a consequence of the non-trivial bulk band structure and have properties that differ from ordinary surface states. They are robust toward contamination and deformation of the surface. Additionally, they are also spin polarized, which means that an electron spin is locked to a crystal momentum and, therefore, backscattering during transport is suppressed [1]. Due to their specific properties the TI could be used in fields of spintronics, quantum computing and catalysis [2]. The investigation of the interfaces between metals and the TI has not been given much attention even though its characterization is interesting from fundamental physics and applicative point of view. (In)stability of the contacts with metal electrodes, in a form of a chemical reaction or diffusion, has to be taken into account since it can affect the transport properties of the material or increase the contact resistance. Our research is dedicated to the study of the metal/TI interfaces, in particular to Bi2Se3 with deposited metals that are relevant for electrical contacts (Au, Ag, Pt, Cr, Ti). The thermal and chemical stability of the interfaces are of fundamental importance for understanding the contact behavior, therefore, we focused our work to the characterization of these properties. The metal/TI interfaces are investigated mainly with an electron microscopy (SEM, TEM, STM), EDX microanalysis and XRD. Our previous studies showed that the interface between Bi2Se3, and Ag deposited either chemically or from a vapor phase, results in the formation of new phases already at room temperature [3]. On the contrary, Au deposited on the Bi2Se3 surface shows very limited reactivity and is stable at RT, but diffusion and coalescence of the metal are observed starting from 100 °C [4]. In this contribution, we will present further characterization on the evolution of the Ag/Bi2Se3 and Au/Bi2Se3 interfaces, show preliminary results about recently investigated systems (Pt/Bi2Se3, Ti/Bi2Se3) and compare the thermal and chemical stability of the systems under investigation.
Found in: ključnih besedah
Keywords: thermal lens spectrometry, photothermal beam deflection spectroscopy, dye remediation, photothermal technique, photocatalytic degradation, reactive blue 19, TiO2 modification
Published: 20.08.2021; Views: 199; Downloads: 0
.pdf Fulltext (100,42 KB)

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