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92. Surface modified titanium dioxide using transition metals : nickel as a winning transition metal for solar light photocatalysisAndraž Šuligoj, Iztok Arčon, Matjaž Mazaj, Goran Dražić, Denis Arčon, Pegie Cool, Urška Lavrenčič Štangar, Nataša Novak Tušar, 2018, original scientific article Abstract: Titanium dioxide has been widely used as an antimicrobial agent, UV-filter and catalyst for pollution abatement. Herein, surface modifications with selected transition metals (Me) over colloidal TiO2 nanoparticles and immobilization with a colloidal SiO2 binder as composite films (MeTiO2/SiO2) on a glass carrier were used to enhance solar-light photoactivity. Colloidal TiO2 nanoparticles were modified by loading selected transition metals (Me ¼ Mn, Fe, Co, Ni, Cu, and Zn) in the form of chlorides on their surface. They were present primarily as oxo-nanoclusters and a portion as metal oxides. The structural characteristics of bare TiO2 were preserved up to an optimal metal loading of 0.5 wt%. We have shown in situ that metal-oxo-nanoclusters with a redox potential close to that of O2/O2 were able to function as co-catalysts on the TiO2 surface which was excited by solar-light irradiation. The materials were tested for photocatalytic activity by two opposite methods; one detecting O2 (reduction, Rz ink test) while the other detecting OH (oxidation, terephthalic acid test). It was shown that the enhancement of the solar-light activity of TiO2 by the deposition of transition metal oxo-nanoclusters on the surface depends strongly on the combination of the reduction potential of such species and appropriate band positions of their oxides. The latter prevented excessive self-recombination of the photogenerated charge carriers by the nanoclusters in Ni and Zn modification, which was probably the case in other metal modifications.
Overall, only Ni modification had a positive effect on solar photoactivity in both oxidation and reduction reactions.
Keywords: surface modified TiO2, XANES, EXAFS, Nickel, solar light photocatalyst
Published in RUNG: 01.06.2018; Views: 4104; Downloads: 0
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93. New electronics for the surface detectors of the Pierre Auger ObservatoryT. Suomijärvi, Andrej Filipčič, Gašper Kukec Mezek, Ahmed Saleh, Samo Stanič, Marta Trini, Darko Veberič, Serguei Vorobiov, Lili Yang, Danilo Zavrtanik, Marko Zavrtanik, 2017, published scientific conference contribution Keywords: surface detectors, Pierre Auger Observatory, electronics
Published in RUNG: 19.02.2018; Views: 3931; Downloads: 165
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94. The dynamic range of the AugerPrime Surface Detector: technical solution and physics reachAntonella Castellina, Andrej Filipčič, Gašper Kukec Mezek, Ahmed Saleh, Marta Trini, Darko Veberič, Serguei Vorobiov, Lili Yang, Danilo Zavrtanik, Marko Zavrtanik, 2017, published scientific conference contribution Keywords: AugerPrime, Surface Detector, Pierre Auger Observatory
Published in RUNG: 16.02.2018; Views: 3978; Downloads: 179
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95. Peculiar lightning-related events observed by the surface detector of the Pierre Auger ObservatoryRoberta Colalillo, Andrej Filipčič, Gašper Kukec Mezek, Ahmed Saleh, Samo Stanič, Marta Trini, Darko Veberič, Serguei Vorobiov, Lili Yang, Danilo Zavrtanik, Marko Zavrtanik, 2017, published scientific conference contribution Keywords: Pierre Auger Observatory, surface detector, peculiar lightning-related events
Published in RUNG: 16.02.2018; Views: 4045; Downloads: 195
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99. Characterization of Mg low-index surfaces by first-principlesMiha Gunde, 2017, master's thesis Abstract: In this work, three surfaces, namely, Mg(0001), Mg(10 ̄1 0) and Mg(11 ̄2 0) are investigated by means of Density Functional Theory and Generalized Gradient Approximation first-principle calculations. The surfaces have been characterized in terms of their interlayer distances, surface energies, Projected Density of States and Surface Core Level Shifts. Contrary to what was found in previous studies based on Density Functional Theory-Local Density Approximation, the use of Generalized Gradient Approximation exchange correlation functional unravels the oscillatory behavior of both interlayer distances and Surface Core Level Shifts of Mg(10 ̄1 0). Moreover,
the Projected Density Of States of un-reconstructed Mg(11 ̄2 0) exhibit the typical quantisation of electronic levels associated to a 2D-confinement of a 3D nearly-free electron gas, as observed in nano-wires, and a Peierls instability along the unconfined direction. Different possible reconstructions on Mg(11 ̄2 0) have then been investigated. In particular, it is found that the
surface energy of (2X1) and (3X1) reconstructions is almost degenerate and lower than the surface energy of the unreconstructed Mg(11 ̄2 0) surface. Because of the quasi-degeneracy of surface energies, Mg(11 ̄2 0) surface should be composed by a combination of all the quasi degenerate phases.
Keywords: Density Functional Theory, first-principle calculations, Mg surface, Surface Core-Level Shift, surface relaxation, surface reconstruction
Published in RUNG: 04.07.2017; Views: 6715; Downloads: 2110
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100. Introduction to Electronic Properties and Dynamics of Organic Complexes as Self‐Assembled MonolayersMaddalena Pedio, 2017, independent scientific component part or a chapter in a monograph Abstract: Self‐assembled monolayers (SAMs) of organic‐conjugated transition metal complexes on surfaces is a focus of both device engineering and basic science, since it is a key factor in nearly all important aspects of device performances, including operation voltages, degradation, and efficiency. The huge amount of literature results related to the first monolayer, and reorganization and self‐assembling processes are due to the general accepted result that structural and chemical properties of the first monolayer are the key parameters for controlled thin film growth. Optical and magneto‐electronic properties are intimately connected, and the accurate determination of electronic levels, excitation, and relaxation dynamics is mandatory for the optimization of electronic, photovoltaic, and opto‐electronic devices. Quite a number of electronic states is generated by the interaction of light with
complex organic molecules. Time‐resolved spectroscopies are a new investigation tool
that gives the possibility of correctly addressing their origin and life time. Examples of prototypical systems are presented and discussed. We review on complementary techniques, trying to single out how different approaches are fundamental to fully characterize
these complex systems.
Keywords: self‐assembled monolayer (SAM), surface structures molecular layers, nanotechnology, electronic properties, spectroscopies, time resolved
Published in RUNG: 12.06.2017; Views: 5253; Downloads: 210
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