No (11892)
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11892
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Functional Tungsten-based thin films and their characterization
Košelová, Zuzana; Horáková, L.; Sobola, Dinara; Burda, Daniel; Knápek, Alexandr; Fohlerová, Z.
2024 - English
Anodizing is a technique by which thin oxide layers can be formed on a surface. Thin oxide layers have been found to be useful in a variety of applications, including emitters of electrons. Tungsten is still a common choice for cold field emitters in commercial microscopy applications. Its suitable quality can be further improved by thin film deposition. Not only the emission characteristic can be improved, but also the emitter operating time can be extended. Tungsten oxide is known for its excellent resistance to corrosion and chemical attack due to its stable crystal structure and strong chemical bonds between tungsten and oxygen atoms. Many techniques with different advantages and disadvantages have been used for this purpose. Anodization was chosen for this work because of the controllable uniform coverage of the material and its easy availability without the need for expensive complex equipment. The anodizing process involves applying an electrical potential to tungsten while it is immersed in an electrolyte solution. This creates a thin layer of tungsten oxide on the surface of the metal. The thickness and properties of the resulting oxide layer can be controlled by adjusting the anodization conditions, such as the electrolyte solution, voltage, and the duration of the process. In this work, H3PO4 was used as the electrolyte to test whether these tungsten oxide layers would be useful for electron emitters, for use in electron guns and other devices that require high-quality electron emitters. The properties were evaluated using appropriate techniques. In general, anodization of tungsten to form thin layers of tungsten oxide layers is a promising technique for producing high quality electron emitters.
Keywords:
cold-field emission; thin layer deposition; tungsten oxide; resonance enhanced tunneling; anodization
Available at various institutes of the ASCR
Functional Tungsten-based thin films and their characterization
Anodizing is a technique by which thin oxide layers can be formed on a surface. Thin oxide layers have been found to be useful in a variety of applications, including emitters of electrons. Tungsten ...
EFFECT OF STEEL COMPOSITION ON ITS BEHAVIOUR IN THE LIQUID LEAD ENVIRONMENT
Pazderova, M.; Hojná, A.; Vít, J.; Hadraba, Hynek; Čižek, J.
2024 - English
Ferritic-martensitic Eurofer-97 and oxide dispersion strengthened (ODS) Eurofer steels are potential candidates for structural applications in advanced nuclear reactors. Influence of scandium, yttrium, and aluminum addition was studied at 600 degrees C using 10-6 wt.% oxygen concentration. Microstructure and corrosion behaviour was evaluated after 500 h and 1000 h of exposure to liquid lead. Microscopical investigation identified oxidation, solution- based attack, and Pb penetration into the material. Addition of scandium and aluminum changed the mechanism of corrosion attack. Eurofer-97 was partially protected by outer oxide and inner oxidation and Pb penetration was found. In contrast ODS-Eurofer steels after 1000 h of exposure showed mainly inner oxidation and SBA including Pb penetration into the steel. The inner oxidation consisted of Pb+Cr-O and Cr-O+Al-O layers mixture. Degradation of ODS steel was significantly lower than Eurofer-97. It seems that the inner oxidation layer beneath the surface did not prevent the Pb penetration but protected the surface from dissolution.
Keywords:
corrosion behavior; flowing lead; ods steels; pb; Ferritic-martensitic steel; ods; liquid Pb; oxidation; nuclear application
Available at various institutes of the ASCR
EFFECT OF STEEL COMPOSITION ON ITS BEHAVIOUR IN THE LIQUID LEAD ENVIRONMENT
Ferritic-martensitic Eurofer-97 and oxide dispersion strengthened (ODS) Eurofer steels are potential candidates for structural applications in advanced nuclear reactors. Influence of scandium, ...
QUANTUM-COMPUTING STUDY OF THE ELECTRONIC STRUCTURE OF CRYSTALS: THE CASE STUDY OF SI
Ďuriška, Michal; Miháliková, Ivana; Friák, Martin
2024 - English
Quantum computing is newly emerging information-processing technology which is foreseen to be exponentially faster than classical supercomputers. Current quantum processors are nevertheless very limited in their availability and performance and many important software tools for them do not exist yet. Therefore, various systems are studied by simulating the run of quantum computers. Building upon our previous experience with quantum computing of small molecular systems (see I. Mihalikova et al., Molecules 27 (2022) 597, and I. Mihalikova et al., Nanomaterials 2022, 12, 243), we have recently focused on computing electronic structure of periodic crystalline materials. Being inspired by the work of Cerasoli et al. (Phys. Chem. Chem. Phys., 2020, 22, 21816), we have used hybrid variational quantum eigensolver (VQE) algorithm, which combined classical and quantum information processing. Employing tight-binding type of crystal description, we present our results for crystalline diamond-structure silicon. In particular, we focus on the states along the lowest occupied band within the electronic structure of Si and compare the results with values obtained by classical means. While we demonstrate an excellence agreement between classical and quantum-computed results in most of our calculations, we further critically check the sensitivity of our results with respect to computational set-up in our quantum-computing study. A few results were obtained also using quantum processors provided by the IBM.
Keywords:
computation; Quantum computing; crystals; tight-binding method; quantum-mechanical calculations
Available at various institutes of the ASCR
QUANTUM-COMPUTING STUDY OF THE ELECTRONIC STRUCTURE OF CRYSTALS: THE CASE STUDY OF SI
Quantum computing is newly emerging information-processing technology which is foreseen to be exponentially faster than classical supercomputers. Current quantum processors are nevertheless very ...
Electrochemical Properties of Pretomanid. New drug for Tuberculosis Treatment
Deri, M.; Vespi, M.; Giannarelli, S.; Hromadová, Magdaléna
2024 - English
The electrochemical behavior of Pretomanid (PA 824) has been investigated in acetonitrile by cyclic voltammetry at different scan rates and compared to dimetridazole reduction in order to elucidate its redox mechanism. Both compounds show similar reduction behavior in the aprotic solvent that involves one electron transfer to the nitro group. The reduction of Pretomanid is more difficult and the stability of its nitro anion radical is much lower compared to the dimetridazole molecule.
Keywords:
pretomanid; dimetridazole; cyclic voltammetry; reduction mechanism
Available on request at various institutes of the ASCR
Electrochemical Properties of Pretomanid. New drug for Tuberculosis Treatment
The electrochemical behavior of Pretomanid (PA 824) has been investigated in acetonitrile by cyclic voltammetry at different scan rates and compared to dimetridazole reduction in order to elucidate ...
Redox Properties of Pyrene-Cyclohexene Conjugates – Electrochemical Study
Koláčná, Lucie; Čubiňák, M.; Tobrman, T.; Ludvík, Jiří
2024 - English
The series of 16 compounds for "organic electronics" comprising the double-bond cyclohexene core extended by pyrene and/or other aromatics were electrochemically characterized by rotating disk voltammetry in N,N-dimethylformamide. Due to multiple substitutions, the resulting potential gap represents the sum of all substituent effects. Different combinations of substituents can be used to achieve the desired properties of cyclohexene-pyrene derivatives. The electrochemical data presented in this contribution facilitate further tuning of properties of these molecules and systems to achieve features required in material chemistry just by means of chemical modification.
Keywords:
pyrene; cyclohexene; conjugation
Available on request at various institutes of the ASCR
Redox Properties of Pyrene-Cyclohexene Conjugates – Electrochemical Study
The series of 16 compounds for "organic electronics" comprising the double-bond cyclohexene core extended by pyrene and/or other aromatics were electrochemically characterized by rotating disk ...
Electrochemical Valorization of Lignocellulosic Biomass Amination of Furfural and 5-Hydroxymethylfurfural
Donkeng Dazie, Joel; Koláčná, Lucie; Urban, Jiří; Lamač, Martin; Ludvík, Jiří
2024 - English
Furfural (FF) and 5-hydroxymethylfurfural (HMF) isolated from waste lignocellulosic biomass represent renewable sources. The present contribution deals with the transformation of FF and HMF into furfuryl amines which are important precursors namely for pharmaceutical synthesis. First, FF and HMF underwent condensation reactions with various amines which were electrochemically monitored to optimize the process. The resulting Schiff bases were identified by NMR and subsequently electrochemically reduced in basic media. The vicinal diamine (aminopinacol) was the main product besides the expected furfuryl amines. This reaction is a contribution to green synthesis because it was performed electrochemically, in water, and without any metallic catalysts.
Keywords:
furfural; 5-hydroxymethylfurfural; (di)amines
Available on request at various institutes of the ASCR
Electrochemical Valorization of Lignocellulosic Biomass Amination of Furfural and 5-Hydroxymethylfurfural
Furfural (FF) and 5-hydroxymethylfurfural (HMF) isolated from waste lignocellulosic biomass represent renewable sources. The present contribution deals with the transformation of FF and HMF into ...
Electrochemical Properties of Newly Synthesized Selaginpulvilins
Dostálová, L.; Sokolová, Romana; Schwarzová-Pecková, K.; Rýček, L.
2024 - English
The electrochemical properties of newly synthesized selaginpulvilin were investigated by cyclic voltammetry and UV-Vis spectroelectrochemistry. The subject of the study were two\nselaginpulvilins differing in the presence of a hydroxyl group in the media of 0.1 mol L-1 tetrabutylammonium hexafluorophosphate as supporting electrolyte in anhydrous acetonitrile. Both\ncompounds provided an oxidative signal in the positive region until +2.0 V.
Keywords:
oxidation; cyclic voltammetry; selaginpulvilins
Available on request at various institutes of the ASCR
Electrochemical Properties of Newly Synthesized Selaginpulvilins
The electrochemical properties of newly synthesized selaginpulvilin were investigated by cyclic voltammetry and UV-Vis spectroelectrochemistry. The subject of the study were two\nselaginpulvilins ...
3D-printed Electrodes with Nearly Ideal Charge Transfer Characteristics
Vaněčková, Eva; Sebechlebská, Táňa; Kolivoška, Viliam
2024 - English
3D printing is an outstanding manufacturing tool for prototyping customized designs at reduced time and costs, having found applications in fields such as medicine or the automotive industry. The development of printable electrically conductive composite materials brought a revolution to electrochemistry, with 3D-printed electrodes being intensively studied from the viewpoint of\nanalytical performance and stability. However, it is often reported that 3D-printed electrodes have poor charge transfer characteristics, typically due to limited exposure of the electrically conductive phase at the composite surface to the surrounding solution. In this work, we devise and apply simple electrochemical activation procedures that lead to a significant improvement of charge transfer characteristics of 3D printed electrodes.
Keywords:
three-dimensional printing; electrochemistry; electrodes
Available on request at various institutes of the ASCR
3D-printed Electrodes with Nearly Ideal Charge Transfer Characteristics
3D printing is an outstanding manufacturing tool for prototyping customized designs at reduced time and costs, having found applications in fields such as medicine or the automotive industry. The ...
Book of Abstracts. 19th Youth symposium on experimental solid mechanics
Kytýř, Daniel; Zlámal, Petr; Pagliaro, A.; Doktor, T.
2024 - English
The YSESM symposium provides a forum for young researchers and engineers, PhD students and students dealing with subjects of experimental mechanics. The Symposium concentrates on current work in all areas of experimental research and its application in solid and fluid mechanics. The topic will particularly concern to: Conventional and advanced experimental methods in solid and fluid mechanics - Non-destructive testing and inspection - Measurements in material science - Computer assisted testing and simulation - Engineering design simulation - Hybrid methods, experimental techniques – Numerical simulation - Optical methods and image processing - Measurements in biomechanics - Sensor techniques for micro- and nano-applications - Measurement methods for forensic engineering
Keywords:
experimental mechanics; solid mechanics; fluid mechanics
Available at various institutes of the ASCR
Book of Abstracts. 19th Youth symposium on experimental solid mechanics
The YSESM symposium provides a forum for young researchers and engineers, PhD students and students dealing with subjects of experimental mechanics. The Symposium concentrates on current work in all ...
Verification of the dynamic properties of a new model turbine wheel with free blades
Voronova, Evgeniya; Procházka, Pavel; Maturkanič, Dušan; Mekhalfia, Mohammed Lamine; Hodboď, Robert
2024 - English
The paper describes a new experimental model of turbine wheel with free blades. Verification tests were carried out using a Doppler laser vibrometer, with a focus on the equipment parameters under various conditions. The measurements were performed in the Laboratory of Rotational Laser Vibrometry originated at the Institute of Thermomechanics AS CR, v.v.i.
Keywords:
natural frequencies; vibration; blade; laser; turbine
Available at various institutes of the ASCR
Verification of the dynamic properties of a new model turbine wheel with free blades
The paper describes a new experimental model of turbine wheel with free blades. Verification tests were carried out using a Doppler laser vibrometer, with a focus on the equipment parameters under ...
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