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SrFe12O19 coatings, intended as electromagnetic wave absorbers, were produced by atmospheric plasma spraying (APS) using two different kindsof feedstock powders: spray-dried agglomerates of micrometric SrFe12O19 particles (type-A) or spray-dried agglomerates of raw materials (SrCO3,Fe2O3), reactively sintered at 1100 ◦C (type-B).During spraying, type-A agglomerates either remain unmelted, producing porous coating regions where crystalline hexaferrite is retained, orare disrupted into smaller granules which melt completely, resulting in dense coating regions with no crystalline hexaferrite.The sintered type-B agglomerates possess higher cohesive strength and do not fall apart: the finer ones melt completely, whereas, in the largerones, the outer region melts and infiltrates the porous unmelted core which retains crystalline hexaferrite. Dense coatings can therefore be obtainedwhile preserving high amounts of crystalline hexaferrite even inside the dense areas. Such coatings show magnetic properties that are promisingfor electromagnetic wave absorption applications

Going Beyond Silver in Ethylene Epoxidation with First-Principles Catalyst Screening

Ethylene epoxidation is industrially and commercially one of the most important selective oxidations. Silver catalysts have been state-of-the-art for decades, their efficiency steadily improving with empirical discoveries of dopants and co-catalysts. Herein, we perform a computational screening of the metals in the periodic table, identify prospective superior catalysts and experimentally demonstrate that Ag/CuPb, Ag/CuCd and Ag/CuTl outperform the pure-Ag catalysts, while they still confer an easily scalable synthesis protocol. Furthermore, we show that to harness the potential of computationally-led discovery of catalysts fully, it is essential to include the relevant in situ conditions e.g., surface oxidation, parasitic side reactions and ethylene epoxide decomposition, as neglecting such effects leads to erroneous predictions. We combine ab initio calculations, scaling relations, and rigorous reactor microkinetic modelling, which goes beyond conventional simplified steady-state or rate-determining modelling on immutable catalyst surfaces. The modelling insights have enabled us to both synthesise novel catalysts and theoretically understand experimental findings, thus, bridging the gap between first-principles simulations and industrial applications. We show that the computational catalyst design can be easily extended to include larger reaction networks and other effects, such as surface oxidations. The feasibility was confirmed by experimental agreement

Synthesis, structural and magnetic properties of Y1-xYbxF3 solid solution

Many works devoted to obtaining nanodispersed BaTiO3 powder modified with different dopants for suitable properties providing. In particular, recently considerable attention has been given to obtaining modified nanopowders BaTiO3 possessing relaxor behavior order to ensure reliable work of dielectrics. Generally, Ca,Zr,Mn, ,Pb and rare earth elements such as Nb,Y adds order to provide stress, inhibit grain growth and provide Pinching effect, and hence to increase dielectrics relaxor behavior. However, there is still an issue associated with obtaining satisfactory stoichiometry of the obtained powder. From this viewpoint Ca,Zr-doped BaTiO3 were prepared with co-precipitation method via multiligand complexes formation and influence of the precursor type on Ca,Zr-doped BaTiO3 stoichiometry were investigated. Their stoichiometry, crystal structure was examined in order to determine preferential solubility site of Ca,Zr ions in perovskite structure. Stoichiometry Ca,Zr-modified BaTiO3 will be evaluated considering different precursor type. X-ray, IR spectroscopy and X-ray fluorescence analysis were carried out to obtain the knowledge on the occupation site in the Ba1-xСaxTi1-yZryO3 perovskite structure. These results proved influence complex formation on Ca,Zr-modified BaTiO3 stoichiometry

Novel Ba-hexaferrite structural variations stabilized on the nanoscale as building blocks for epitaxial bi-magnetic hard/soft sandwiched maghemite/hexaferrite/maghemite nanoplatelets with out-of-plane easy axis and enhanced magnetization

Atomic-resolution scanning-transmission electron microscopy showed that barium hexaferrite (BHF) nanoplatelets display a distinct structure, which represents a novel structural variation of hexaferrites stabilized on the nanoscale. The structure can be presented in terms of two alternating structural blocks stacked across the nanoplatelet: a hexagonal (BaFeO) R block and a cubic (FeO) spinel S block. The structure of the BHF nanoplatelets comprises only two, or rarely three, R blocks and always terminates at the basal surfaces with the full S blocks. The structure of a vast majority of the nanoplatelets can be described with a SR∗S∗RS stacking order, corresponding to a BaFeO composition. The nanoplatelets display a large, uniaxial magnetic anisotropy with the easy axis perpendicular to the platelet, which is a crucial property enabling different novel applications based on aligning the nanoplatelets with applied magnetic fields. However, the BHF nanoplatelets exhibit a modest saturation magnetization, M, of just over 30 emu g. Given the cubic S block termination of the platelets, layers of maghemite, γ-FeO, (M), with a cubic spinel structure, can be easily grown epitaxially on the surfaces of the platelets, forming a sandwiched M/BHF/M platelet structure. The exchange-coupled composite nanoplatelets exhibit a remarkably uniform structure, with an enhanced M of more than 50 emu g while essentially maintaining the out-of-plane easy axis. The enhanced M could pave the way for their use in diverse platelet-based magnetic applications

PZT-NZF/CF ferrite flexible thick films: Structural, dielectric, ferroelectric, and magnetic characterization

The preparation and properties of thick flexible three-phase composite films based on lead zirconium titanate (PZT) and various ferrites (nickel zinc ferrite (NZF) and cobalt ferrite (CF)) were reported in this study. Properties of three-phase composite films were compared with pure polyvinylidene fluoride (PVDF) and PZT-PVDF films. X-ray diffraction data indicated the formation of well crystallized structure of PZT and NZF/CF phases, without the presence of undesirable phases. Scanning electron micrographs showed that the ceramic particles were dispersed homogeneously in the PVDF matrix and atomic force microscopy confirmed that the size of the particles is around 30 nm. Non-saturated hysteresis loops were evident in all samples due to the presence of highly conductive ferrite phases. Under magnetic field of 10 kOe, composite films exhibited a typical ferromagnetic response. Dielectric properties were investigated in the temperature range from -128 to 250 degrees C and frequency range of 400 Hz-1 MHz. The results showed that the value of dielectric constant of the PVDF/PZT/ferrite composites increased about 25% above the one obtained for pure PVDF