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Air-water interface-assisted synthesis and charge transport characterization of quasi-2d polyacetylene films with enhanced electron mobility via ring-opening polymerization of pyrrole
Kejun Liu, Nadiia Pastukhova, Egon Pavlica, Gvido Bratina, Xinliang Feng, 2024, other component parts

Abstract: Water surfaces catalyze some organic reactions more effectively, making them unique for 2D organic material synthesis. This report introduces a new synthesis method via surfactant-monolayer-assisted interfacial synthesis on water surfaces for ring-opening polymerization of pyrrole, producing distinct polypyrrole derivatives with polyacetylene backbones and ionic substitutions. The synthesis result in quasi 2D polyacetylene (q2DPA) film with enhanced charge transport behavior. We employed time-of-flight photoconductivity (TOFP) measurements using pulsed laser light of tunable wavelength for photoexcitation of the charge carriers within the q2DPA film. The charge transport was measured in the lateral direction as a function of external bias voltage ranging from 0 V to 200 V. We observed high electron mobility ({\mu}) of q2DPA reaching values of 375 cm2 V-1 s-1 at bias voltage Vb = -20V and photon energy of 3.8 eV.
Keywords: air-water interface-assisted synthesis, time-of-flight photoconductivity, 2D polymers, quasi 2D polyacetylene, q2DPA
Published in RUNG: 09.04.2024; Views: 703; Downloads: 2
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An in situ proton filter covalent organic framework catalyst for highly efficient aqueous electrochemical ammonia production
Kayaramkodath C. Ranjeesh, Sukhjot Kaur, Abdul K. Mohammed, Safa Gaber, Divyani Gupta, Khaled Badawy, Mohamed Aslam, Nirpendra Singh, Tina Škorjanc, Matjaž Finšgar, 2023, original scientific article

Abstract: The electrocatalytic nitrogen reduction reaction (NRR) driven by renewable electricity provides a green synthesis route for ammonia (NH3) production under ambient conditions but suffers from a low conversion yield and poor Faradaic efficiency (F.E.) because of strong competition from hydrogen evolution reaction (HER) and the poor solubility of N2 in aqueous systems. Herein, an in situ proton filter covalent organic framework catalyst (Ru-Tta-Dfp) is reported with inherent Ruthenium (Ru) sites where the framework controls reactant diffusion by suppressing proton supply and enhancing N2 flux, causing highly selective and efficient catalysis. The smart catalyst design results in a remarkable ammonia production yield rate of 2.03 mg h−1 mgcat−1 with an excellent F.E. of ≈52.9%. The findings are further endorsed with the help of molecular dynamics simulations and control COF systems without in situ proton filter feasibility. The results point to a paradigm shift in engineering high-performance NRR electrocatalysts for more feasible green NH3 production.
Keywords: covalent organic frameworks, ammonia, electrochemical synthesis, electrochemistry, nitrogen reduction reaction, ruthenium
Published in RUNG: 11.12.2023; Views: 933; Downloads: 6
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The Cherenkov Telescope Array
Daniel Mazin, Christopher Eckner, Gašper Kukec Mezek, Samo Stanič, Serguei Vorobiov, Lili Yang, Gabrijela Zaharijas, Danilo Zavrtanik, Marko Zavrtanik, Lukas Zehrer, 2019, published scientific conference contribution

Abstract: The Cherenkov Telescope Array (CTA) is the next generation ground-based observatory for gamma-ray astronomy at very-high energies. It will be capable of detecting gamma rays in the energy range from 20 GeV to more than 300 TeV with unprecedented precision in energy and directional reconstruction. With more than 100 telescopes of three different types it will be located in the northern hemisphere at La Palma, Spain, and in the southern at Paranal, Chile. CTA will be one of the largest astronomical infrastructures in the world with open data access and it will address questions in astronomy, astrophysics and fundamental physics in the next decades. In this presentation we will focus on the status of the CTA construction, the status of the telescope prototypes and highlight some of the physics perspectives.
Keywords: very-high-energy gamma-ray astronomy, Cherenkov Telescope Array, CTA sensitivity, gamma-ray bursts, POpulation Synthesis Theory Integrated project for very high-energy emission
Published in RUNG: 04.12.2023; Views: 982; Downloads: 3
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POSyTIVE : a GRB population study for the Cherenkov Telescope Array
Maria Grazia Bernardini, Christopher Eckner, Gašper Kukec Mezek, Samo Stanič, Serguei Vorobiov, Lili Yang, Gabrijela Zaharijas, Danilo Zavrtanik, Marko Zavrtanik, Lukas Zehrer, 2019, published scientific conference contribution

Abstract: One of the central scientific goals of the next-generation Cherenkov Telescope Array (CTA) is the detection and characterization of gamma-ray bursts (GRBs). CTA will be sensitive to gamma rays with energies from about 20 GeV, up to a few hundred TeV. The energy range below 1 TeV is particularly important for GRBs. CTA will allow exploration of this regime with a ground-based gamma-ray facility with unprecedented sensitivity. As such, it will be able to probe radiation and particle acceleration mechanisms at work in GRBs. In this contribution, we describe POSyTIVE, the POpulation Synthesis Theory Integrated project for very high-energy emission. The purpose of the project is to make realistic predictions for the detection rates of GRBs with CTA, to enable studies of individual simulated GRBs, and to perform preparatory studies for time-resolved spectral analyses. The mock GRB population used by POSyTIVE is calibrated using the entire 40-year dataset of multi-wavelength GRB observations. As part of this project we explore theoretical models for prompt and afterglow emission of long and short GRBs, and predict the expected radiative output. Subsequent analyses are performed in order to simulate the observations with CTA, using the publicly available ctools and Gammapy frameworks. We present preliminary results of the design and implementation of this project.
Keywords: very-high-energy gamma-ray astronomy, Cherenkov Telescope Array, CTA sensitivity, gamma-ray bursts, population Synthesis Theory, very high-energy emission
Published in RUNG: 04.12.2023; Views: 1319; Downloads: 1
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Self-adaptive amorphous ▫$CoO_xCl_y$▫ electrocatalyst for sustainable chlorine evolution in acidic brine
Mengjun Xiao, Qianbao Wu, Ruiqi Ku, Liujiang Zhou, Chang Long, Junwu Liang, Andraž Mavrič, Lei Li, Jing Zhu, Matjaž Valant, 2023, original scientific article

Abstract: Electrochemical chlorine evolution reaction is of central importance in the chlor-alkali industry, but the chlorine evolution anode is largely limited by water oxidation side reaction and corrosion-induced performance decay in strong acids. Here we present an amorphous CoOxCly catalyst that has been deposited in situ in an acidic saline electrolyte containing Co2+ and Cl- ions to adapt to the given electrochemical condition and exhibits ~100% chlorine evolution selectivity with an overpotential of ~0.1 V at 10 mA cm−2 and high stability over 500 h. In situ spectroscopic studies and theoretical calculations reveal that the electrochemical introduction of Cl- prevents the Co sites from charging to a higher oxidation state thus suppressing the O-O bond formation for oxygen evolution. Consequently, the chlorine evolution selectivity has been enhanced on the Cl-constrained Co-O* sites via the Volmer-Heyrovsky pathway. This study provides fundamental insights into how the reactant Cl-itself can work as a promoter toward enhancing chlorine evolution in acidic brine.
Keywords: catalyst synthesis, electrocatalysis, chlorine evolution
Published in RUNG: 04.09.2023; Views: 1413; Downloads: 6
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Iron phosphide as an efficient electrocatalysts for hydrogen evolution : abstract
Takwa Chouki, Manel Machreki, Saim Emin, 2020, published scientific conference contribution abstract

Abstract: We report the solvothermal synthesis of iron phosphide electrocatalysts using a low-cost phosphorus precursor. The synthetic protocol allows for the preparation of a Fe2P phase at 300°C and FeP phase at 350°C. To enhance the catalytic activities of obtained iron phosphide particles, heat-treatments were carried out at elevated temperatures. Annealing at 500°C induced structural changes in the samples: (i) Fe2P provided a pure Fe3P phase (Fe3P−500°C) and (ii) FeP transformed into a mixture of iron phosphide phases (Fe2P/FeP−500°C). The electrocatalytic activities of heat-treated Fe2P−450°C, Fe3P−500°C, and Fe2P/FeP−500°C catalysts were studied for hydrogen evolution reaction (HER) in 0.5 M sulfuric acid (H2SO4). The lowest recorded overpotential of 110 mV at 10 mA cm−2 vs. a reversible hydrogen electrode was achieved with Fe2P/FeP−500°C catalyst. The present approach allows preparation of immobilized iron phsphide catalyst onto carbon support which is essential for application purpose. The procedure developed by us is an elegant approach to tune the composition of iron phosphide catalyst and control the morphology of particles
Keywords: solvothermal synthesis iron phosphide electrocatalysis HER
Published in RUNG: 06.02.2023; Views: 1448; Downloads: 0
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Efficient Iron Phosphide Catalyst as a Counter Electrode in Dye-Sensitized Solar Cells : article
Abdullah Yildiz, Takwa Chouki, Aycan Atli, Moussab Harb, Sammy W Verbruggen, Rajeshreddy Ninakanti, Saim Emin, 2021, original scientific article

Abstract: Developing an efficient material as a counter electrode (CE) with excellent catalytic activity, intrinsic stability, and low cost is essential for the commercial application of dye-sensitized solar cells (DSSCs). Transition metal phosphides have been demonstrated as outstanding multifunctional catalysts in a broad range of energy conversion technologies. Here, we exploited different phases of iron phosphide as CEs in DSSCs with an I–/I3–-based electrolyte. Solvothermal synthesis using a triphenylphosphine precursor as a phosphorus source allows to grow a Fe2P phase at 300 °C and a FeP phase at 350 °C. The obtained iron phosphide catalysts were coated on fluorine-doped tin oxide substrates and heat-treated at 450 °C under an inert gas atmosphere. The solar-to-current conversion efficiency of the solar cells assembled with the Fe2P material reached 3.96 ± 0.06%, which is comparable to the device assembled with a platinum (Pt) CE. DFT calculations support the experimental observations and explain the fundamental origin behind the improved performance of Fe2P compared to FeP. These results indicate that the Fe2P catalyst exhibits excellent performance along with desired stability to be deployed as an efficient Pt-free alternative in DSSCs.
Keywords: Iron phosphide, catalyst, counter electrode, dye-sensitized solar cell, solvothermal synthesis
Published in RUNG: 06.02.2023; Views: 1321; Downloads: 0
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Synthesis and application of transition metal phosphide nanomaterials as electrocatalysts for water splitting and chemical transformations : dissertation
Takwa Chouki, 2022, doctoral dissertation

Abstract: In this thesis, we will focus on the solvothermal synthesis of iron phosphides (FeP, Fe2P) using triphenylphosphine (TPP) as an inexpensive and stable phosphorus source. The obtained iron phosphides were applied as electrocatalysts in hydrogen evolution reaction (HER), oxygen evolution reaction (OER), Rhodamine B (RhB) degradation, Escherichia coli (E. coli) inactivation, nitrates reduction reaction (NO3RR) to ammonia (NH3), and as counter electrodes in dye-sensitized solar cells (DSSCs). Detailed characterizations of catalysts were carried out to investigate the correlations between the material structure and catalytic activity. The first part of the thesis gives an introduction to the topic which cover overview of literature about the use of transition metal phosphide as efficient electrocatalysts in water splitting studies, NO3RR to NH3 and DSSCs. The second part is a description of the experimental methods. The third part discusses the solvothermal synthesis of FeP and Fe2P catalysts using TPP precursor. The phase conversion of iron phosphides at elevated temperatures under reductive atmosphere was reported. Structural characterizations of the obtained materials were achieved using multiple techniques. The electrocatalytic activities of heat-treated iron phosphide films for HER were studied in acidic environment. The fourth part discusses the use of Fe2P nanoparticles (NPs) for OER. The fifth part outlines the use of Fe2P precatalyst in water treatment studies. Using a thin film of Fe2P precatalyst, RhB degradation and E. coli inactivation in the presence of in-situ generated reactive chlorine species were reported. Characterization of Fe2P electrocatalysts before and after the test was carried out using different techniques. The sixth part shows for the first time the use of FeP and Fe2P as a noble metal-free electrocatalysts for NO3RR to NH3. In this chapter we will emphasize the nitrate reaction pathways, which are highly complex and poorly understood. The seventh part demonstrates the use of FeP and Fe2P catalysts as robust and efficient counter electrodes in DSSCs.
Keywords: solvothermal synthesis, iron phosphides, electrocatalysis, HER, OER, RhB degradation, E. coli inactivation, NO3RR to NH3, DSSCs, dissertations
Published in RUNG: 29.08.2022; Views: 2359; Downloads: 106
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