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NANOCERIA PREPARED BY ELECTRON BEAM EVAPORATION
Pizúrová, Naděžda ; Hlaváček, A. ; Kavčiaková, Zuzana ; Roupcová, Pavla ; Kuběna, Ivo ; Buršík, Jiří ; Sokovnin, S. Y.
Cerium oxide nanoparticles (nanoceria) are currently one of the most investigated nanomaterials because of their attractive properties used in biomedical applications, catalysis, fuel cells, and many others. These attractive properties are connected with the Ce3+ and Ce4+ valency state ratio. In the nanoparticle form, cerium oxides contain a mixture of Ce3+ and Ce4+ on the nanoparticle surfaces. Switching between these two states requires oxygen vacancies. Therefore, nanoceria's inherent ability to act as an antioxidant in an environmentally-dependent manner and a “redox switch” to confer auto-regenerating capabilities by automatically shifting between Ce4+ and Ce3+ oxidation states is significantly affected by surface morphology. Regarding this demanded behavior, we aimed to characterize synthesized nanoparticle surface quality and its influence on the cerium oxidation states. The received results were used to evaluate the synthesis method's suitability for suggested utilization. We used nanoparticles prepared by electron beam evaporation. This unique physical method includes nanoparticle creation through the fast cooling process followed by breaking radiation damaging nanoparticle surfaces to create surface off-stoichiometry. We prepared a sample containing clusters of a mixture of ultra-small nanoparticles and approximately 100 nm particles. X-ray diffraction confirmed the CeO2 phase in both components. To extract the finest component, we used centrifugal size fractionation. We received 200 nm clusters of 2-10 nm nanoparticles. Nanoparticle shapes and facet types were analyzed using transmission electron microscopy methods. We found out most nanoparticles were formed with truncated octahedrons containing {1,1,1} and {1,0,0} facet types and truncated cuboctahedrons containing {1,1,1}, {1,0,0}, and additional {1,1,0} facets. No octahedron (without truncation) containing only {1,1,1} facets was observed. Nanoparticle shapes containing {1,1,0} and {1,0,0} are suitable for redox activity. Some amount of irregular shapes, beneficial for redox activity, was also observed. Spectroscopy methods confirmed Ce3+ content.
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AB INITIO STUDY OF SILVER NANOPARTICLES, GRAIN BOUNDARIES AND THEIR \nQUADRUPLE JUNCTIONS
Polsterová, S. ; Všianská, Monika ; Friák, Martin ; Pizúrová, Naděžda ; Sokovnin, S. ; Šob, Mojmír
Motivated by our experimental research related to silver nanoparticles with various morphologies, we have employed quantum-mechanical calculations to provide our experiments with theoretical insight. We have computed properties of a 181-atom decahedral silver nanoparticle and two types of internal extended defects, -5(210) grain boundaries (GBs) and quadruple junctions (QJs) of these GBs. We have employed a supercell approach with periodic boundary conditions. Regarding the thermodynamic stability of the decahedral nanoparticle, its energy is higher than that of a defect-free face-centered cubic (fcc) Ag by 0.34 eV/atom. As far as the -5(210) GB is concerned, its energy amounts to 0.7 J/m2 and we predict that the studied GBs would locally expand the volume of the lattice. Importantly, the system with GBs is found rather close to the limit of mechanical stability. In particular, the computed value of the shear-related elastic constant C66 is as low as 9.4 GPa with the zero/negative value representing a mechanically unstable system. We thus predict that the -5(210) GBs may be prone to failure due to specific shearing deformation modes. The studied GBs have also the value of Poisson’s ratio for some loading directions close to zero. Next, we compare our results related solely to -5(210) GBs with those of a system where multiple intersecting -5(210) GBs form a network of quadruple junctions. The value of the critical elastic constant C66 is higher in this case, 13 GPa, and the mechanical stability is, therefore, better in the system with QJs.
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MICROSTRUCTURE AND COMPOSITION OF FINE PARTICLES RELEASED BY CAR BRAKING
Švábenská, Eva ; Roupcová, Pavla ; Pizúrová, Naděžda ; Schneeweiss, Oldřich
Vehicular traffic is connected with large volume of fine particles released during brake processes of cars. Our research is focused on the phase, structure and chemical analysis of the fine particles taken from some car brake parts by their services. The information on structure and phase composition was obtained by X-Ray Powder Diffraction, Mossbauer Spectroscopy, scanning electron microscopy with EDX and transmission electron microscopy. The results of the wear debris analysis are compared with original brake materials components. Most of recognized particles are based mainly on iron oxides. Wear brake particles are discussed in the relation to the potential risk to the environment and human health.
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MICROSTRUCTURE AND COMPOSITION OF FINE PARTICLES RELEASED BY CAR BRAKING
Švábenská, Eva ; Roupcová, Pavla ; Pizúrová, Naděžda ; Schneeweiss, Oldřich
Vehicular traffic is connected with large volume of fine particles released during brake processes of cars. Our research is focused on the phase, structure and chemical analysis of the fine particles taken from some car brake parts by their services. The information on structure and phase composition was obtained by X-Ray Powder Diffraction, Mossbauer Spectroscopy, scanning electron microscopy with EDX and transmission electron microscopy. The results of the wear debris analysis are compared with original brake materials components. Most of recognized particles are based mainly on iron oxides. Wear brake particles are discussed in the relation to the potential risk to the environment and human health.
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Theory-guided design of novel Fe-Al-based superalloys
Friák, Martin ; Holec, D. ; Jirásková, Yvonna ; Palm, M. ; Stein, F. ; Janičkovič, D. ; Pizúrová, Naděžda ; Dymáček, Petr ; Dobeš, Ferdinand ; Šesták, Pavel ; Fikar, Jan ; Šremr, Jiří ; Nechvátal, Luděk ; Oweisová, S. ; Homola, V. ; Titov, Andrii ; Slávik, Ondrej ; Miháliková, Ivana ; Pavlů, Jana ; Buršíková, V. ; Neugebauer, J. ; Boutur, D. ; Lapusta, Y. ; Šob, Mojmír
Our modern industrialized society increasingly requires new structural materials\nfor high-temperature applications in automotive and energy-producing industrial\nsectors. Iron-aluminides are known to possess excellent oxidation and sulfidation\nresistance as well as sufficient strength at elevated temperatures. New Fe-Al-based\nmaterials will have to meet multiple casting, processing and operational criteria\nincluding high-temperature creep strength, oxidation resistance and room-temperature\nductility. Such desirable combination of materials properties can be achieved in multi-phase\nmulti-component superalloys with a specific type of microstructure (the matrix contains\ncoherent particles of a secondary phase - a superalloy microstructure). In order to design\nnew Fe-Al-based superalloys, we employ a state-ofthe-art theory-guided materials design\nconcept to identify suitable combinations of solutes.
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The role of sonication of polyethyleneoxide solutions containing magnetic nanoparticles on morphology of nanofibrous mats
Peer, Petra ; Stěnička, M. ; Filip, Petr ; Pizúrová, Naděžda ; Babayan, V.
Properties of the resulting polymer nanofibers are often tailored by sonication technique applied prior or past an electrospinning process. The aim of this contribution is to evaluate morphology of nanofibrous mats formed by poly(ethylene oxide) with distributed magnetic nanoparticles (MNP) (about 20 nm in diameter) in dependence on time of sonication of the used polymer solutions. The solutions were exposed to sonication (intensity 200W, frequency 24 kHz) for 10, 30, and 60 minutes. It was shown that rheological characteristics (viscosity, storage and loss moduli) strongly depend on time of sonication (particularly phase angle) in contrast to electric conductivity and surface tension. For analysis of homogeneous distribution of MNP in polymer solution, the rheological measurements were carried out also in presence of external magnetic field. Magnetorheological efficiency (a relation of corresponding viscosities) was determined for 80, 170, and 255 mT. Consequently, changed rheological characteristics participate significantly in the process of electrospinning and resulting quality of the obtained nanofibrous mats. Qualitative changes were described by\nmeans of scanning electron microscopy (variance of mean diameter of nanofibers), transmission electron microscopy (distribution of MNP within nanofibrous mats). Static magnetic properties were determined by a vibration sample magnetometer. It was shown that even distribution of MNP in the mats can be achieved by mere sonication process without application of external magnetic field during an electrospinning process. However, time of sonication generates a degree of embedding of MNP into individual nanofibers.
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The role of sonication of PEO solutions with magnetic nanoparticles on morphology of the resulting nanofibrous mats
Peer, Petra ; Stěnička, M. ; Filip, Petr ; Pizúrová, Naděžda ; Babayan, V.
Properties of the resulting polymer nanofibres are often tailored by sonication technique applied prior or past an electrospinning process. The aim of this contribution is to evaluate morphology of nanofibrous mats formed by poly(ethylene oxide) with distributed magnetic nanoparticles (about 20nm in diameter) in dependence on time of sonication of the used polymer solutions. The solutions were exposed to sonication (intensity 200W, frequency 24 kHz) for 10, 30, and 60 minutes. It was shown that rheological characteristics (viscosity, storage and loss moduli) strongly depend on time of sonication (particularly phase angle) in contrast to electric conductivity and surface tension. For analysis of homogeneous distribution of magnetic field and magnetorheological efficiency (a relation of corresponding ciscosities) was process of electrospinning and resulting wuality of the obtained nanofibrous mats.
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Nanokrystalické částice oxidů železa, karbidů železa a alfa-Fe připravené z ferihydritu
Schneeweiss, Oldřich ; Grygar, Tomáš ; David, Bohumil ; Pizúrová, Naděžda ; Žák, Tomáš ; Zbořil, R. ; Mašláň, M.
V práci jsou uvedeny výsledky přípravy nanokrystalických oxidů železa (hematitu alfa-Fe2O3, magnetitu Fe3O4), Haagova karbidu (Fe5C2), and alfa-Fe pomocí tepelného zpracování ferihydritu v různých atmosférách. Fázové složení a velikost nanočástic byly kontrolovány teplotou žíhání a složením okolní atmosféry (vakuum, vodík nebo etylen).
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Strukturní vlastnosti nanometrických železných částic
David, Bohumil ; Schneeweiss, Oldřich ; Pizúrová, Naděžda ; Klementová, Mariana ; Morjan, I.
Nanočástice na bázi železa byly připraveny metodou laserové pyrolýzy. Byl použit reaktor, ve kterém laserové záření kolmo ozařuje proud plynné směsi tvořené Fe(CO)5, C2H2, a C2H4. Etylén absorboval záření z CO2 laseru. Syntetizovaný nanoprášek byl charakterizován pomocí HRTEM, rtg. difrakce, Ramanovy spektroskopie, Mössbauerovy spektroskopie a magnetických měření. Bylo zjištěno, že prášek sestává z nanočástic menších než 10 nm, které se nacházejí v matrici tvořené pyrolytickým uhlíkem. Rentgenový difraktogram vykazoval tři široké píky: první přiřazujeme pyrolytickému uhlíku, druhý maghemitu/magnetitu a třetí pík patří α-Fe. Velikost částic α-Fe je 2 nm (Scherrerova rovnice). Přítomnost fází α-Fe a maghemitu/magnetitu byla rovněž pozorována v Mössbauerově spektru měřeném při 4 K.
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