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Wyniki wyszukiwania dla: krysztal yb:kyw
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Investigation of plasmon resonance in a silver nanoparticles
Dane BadawczeSilver nanostructures were prepared on borosilicate glass (Corning 1737F) substrates. Thin Ag films (1–9 nm thickness) were deposited using a table-top dc magnetron sputtering coater (EM SCD 500, Leica) in pure Ar plasma (argon, Air Products 99.999%). The Ag target was of 99.99% purity, the rate of layer deposition was about 0.4 nm·s−1, and the incident...
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Three-dimensional Weyl topology in one-dimensional photonic structures
PublikacjaTopological features, in particular distinct band intersections known as nodal rings, usually requiring three-dimensional structures, have now been demonstrated experimentally in an elegantly simple one-dimensional photonic crystal.
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O-4-Chlorobenzoyl diphenylselenophosphinate
PublikacjaTytułowy związek difenyloselenofosfinian O-4-chlorobenzoilu krystalizuje w układzie jednoskośnym, w grupie P21/c. Upakowanie molekuł w krysztale wskazuje na oddziaływania van der Waalsa pomiędzy pierścieniami aromatycznymi reszt acylowych. Z kolei kąt dwuścienny pomiędzy pierścieniami fenylowymi reszty fosforowej wynosi 72.64 (14) stopni. Geometrię cząsteczki badanego związku porównano z opisanymi w litaraturze chemicznej estrami...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublikacjaDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers
PublikacjaThe organic ligand 2,5-piperazinedione-1,4-diaceticacid (H2PDA) was synthesized under hydrothermal conditions starting from the iminodiacetic acid and catalyzed by oxalic acid. The X-ray powder diffraction data indicates that the compound crystallizes in the P21/c space group as reported in the literature. The ligand was also characterized by elemental analysis, magnetic nuclear resonance, infrared spectroscopy and thermogravimetric...
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Synthesis and characterization of colloidal gallium selenide nanowires
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublikacjaDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublikacjaThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublikacjaApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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Most Frequent Organic Interactions Compressed in Toluene
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Imidazole Hidden Polar Phase
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Nanostructure characterization of (SmS)1.19TaS2 by means of STM/STS
PublikacjaW publikacji przedstawiono badania za pomocą techniki STM i STS powierzchni kryształów warstwowego związki typu misfit(SmS)1.19TaS2. Badania pozwalają sądzić, że powierzchniową warstwą jest warstwa Sm-S.
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Average Structure, Local Structure, Photoluminescence, and NLO Properties of Scheelite Type NaCe(WO4)2
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Analysis of the interfacial energy of GaAs-Si hetrostructures
PublikacjaPrzeprowadzono obliczenia numeryczne energii powierzchni heterogranicy GaAs-Si z zastosowaniem półempirycznego modelu czteroparametrycznego Acklanda. Pokazano zależność energii heterogranicy od orientacji podłoża Si. Minima energetyczne otrzymano dla orientacji Si równych (011), (133), (112) i (113) co wskazuje ich zastosowanie do epitaksjalnego wzrostu warstw GaAs.
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublikacjaThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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Nano - and microcrystals of doped niobates
PublikacjaPublikacja przedstawia wyniki analizy pomiarów wysokotemperaturowej rentgenografii strukturalnej niobanu lantanu domieszkowanego magnezem.
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Synthesis of acceptor-doped Ba-Ce-Zr-O perovskites
PublikacjaPublikacja przedstawia wyniki badań stukturalnych i elektrycznych domieszkowanego akceptorow cerianu baru.
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Anion-π Architectures of HAT(CN)6 and 5d Polycyanidometalates: [W(CN)8]3–, [Re(CN)7]3–, and [Pt(CN)6]2–
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Binary and Ternary Core–Shell Crystals of Polynuclear Coordination Clusters via Epitaxial Growth
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Cyanido-Bridged Clusters with Remote N-Oxide Groups for Branched Multimetallic Systems
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Two-dimensional thermoluminescence method for checking LiF crystals homogeneity
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Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies
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Effect of some organic solvent - water mixtures composion on precipitated calcium carbonate in carbonation process
PublikacjaPrecipitated calcium carbonate particles were obtained during carbonation of calcium hydroxide slurry with carbon dioxide. Aqueous solutions of isopropyl alcohol, n-butanol and glycerol were used as solvents. Concentration of organic additives in the reactive mixture was from 0 to 20 % (vol.). Precipitation process were performed in a stirred tank reactor equipped with gas distributor. Multimodal courses of particles size distribution...
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Influence of ethylene glycol on CaCO3 particles formation via carbonation in the gas-slurry system
PublikacjaStrącanie węgalnu wapnia przebiegało w układzie gaz-zawiesina w reakcji wodorotlenku wapnia z dwutlenkiem węgla. Proces precypitacji był prowadzony w obecności glikolu etylenowego. Użyty dodatek organiczny zmieniał lepkość mieszaniny reakcyjnej oraz rozpuszczalność dwutlenku węgla i węgalnu wapnia, co miało wpływ na warunki precypitacji CaCO3. Wzrost stężnia glikolu etylenowego w mieszaninie reakcyjnej powodował większe zużycie...
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Controlling the size and morphology of precipitated calcite particles by the selection of solvent composition
PublikacjaCalcium carbonate particles were obtained in the reaction of calcium hydroxide with carbon dioxide at 65°C. Initial Ca(OH)2 suspensions were prepared in pure water and aqueous solutions of ethylene glycol or glycerol of the concentration range up to 20% (vol.). The course of reaction was monitored by conductivity measurements. Precipitated solids were analyzed by FTIR, XRD, SEM and the particles size distribution was determined...
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublikacjaExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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The contribution of Hans von Wartenberg to the development of the Czochralski method
PublikacjaThe contribution of Hans von Wartenberg to the development of the Czochralski Method for pulling single crystals is often overlooked. He was its earliest adopter, having introduced the use of seed crystals, and his detailed description of the method was the basis for its subsequent dissemination.
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublikacjaCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Thermochromic liquid crystals applied for heat transfer research
PublikacjaAutorzy opisali własne wieloletnie doświadczenia z badań wymiany ciepła, w których wykorzystali termochromatyczne ciekłe kryształy. Obejmowały one badania przepływów w kanałach o różnorakiej konfiguracji, badania w przestrzeniach zamkniętych oraz podczas zmiany stanu skupienia badanego płynu.
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Molecular dynamics simulations of ultraprecision machining of fcc monocrystals
PublikacjaArtykuł zawiera wyniki wielkoskalowych symulacji dynamiczno-molekularnych ultraprecyzyjnego skrawania monokryształów metali niedeformowalnym narzędziem. Zmiennymi parametrami symulacji były: szybkość i głębokość skrawania, temperatura, orientacja krystalograficzna skrawanego kryształu oraz kształt narzędzia.Analizie poddano zmiany strukturalne w obrabianym materiale.
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Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate.
PublikacjaThe crystal structure of the esterase EstA from the cold-adapted bacteriumPseudoalteromonas sp. 643A was determined in a covalently inhibited form at aresolution of 1.35 A˚. The enzyme has a typical SGNH hydrolase structureconsisting of a single domain containing a five-stranded beta-sheet, with threehelices at the convex side and two helices at the concave side of the sheet, and isornamented with a couple of very short helices...
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New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds
PublikacjaNanocrystalline powders of monometallic and bimetallic imidazolates of Co, Zn, and Ag were produced by a reaction carried out in water. The powders were characterized by powder X-ray diffraction and the crystal structures of new compounds Ag2ZnIm4 and Ag2CoIm4 (Im = imidazolate) were solved. Heterometallic Co/Zn imidazolates showed the standard ZIF-8 crystal structure while Ag/Zn and Ag/Co systems were isostructural with the copper...
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Mononuclear sodium(I) and copper(I) silanethiolates
PublikacjaStericallyencumberedligand(ArO) 3 SiS − , where Ar = 2,6-diisopropylphenyl, was employed for the synthesisof a dicoordinate copper(I) complex. The ligand creates a very hydrophobic environment around the metal center as indicated by the crystal structures and FT-IR spectroscopy.
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Structural studies of a cold-adapted dimeric Beta-D-galactosidase from Paracoccus sp. 32d
PublikacjaThe crystal structure of a novel dimeric [beta]-D-galactosidase from Paracoccus sp. 32d (Par[beta]DG) was solved in space group P212121 at a resolution of 2.4 Å by molecular replacement with multiple models using the BALBES software. This enzyme belongs to glycoside hydrolase family 2 (GH2), similar to the tetrameric and hexameric [beta]-D-galactosidases from Escherichia coli and Arthrobacter sp. C2-2, respectively. It is the second...
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Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space
PublikacjaThis research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho- isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ~ 106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ∆EST and maximum SOC (spin-orbit...
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Synthesis and properties of HoT2Al20 (T = Ti, V, Cr) intermetallic cage compounds
PublikacjaPolycrystalline samples of HoT2Al20 (T = Ti, V, Cr) intermetallics were synthesized using a step-wise arc-melting technique. All three compounds adopt the CeCr2Al20-type crystal structure with Ho atoms positioned inside oversized icosahedral cages formed by Al atoms. The structure of HoV2Al20 compound is reported. The materials properties were studied by means of electrical resistivity, magnetic susceptibility, and specific heat...
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Catena-Poly[{[mu]-[eta]5:[eta]5-1-[2-(dimethylamino)ethyl-[kappa]N]cyclopentadienyl}-lithium(I)-([mu]-1,1,3,3-tetra-tert-butyltriphosphane-[kappa]3P2:P1,P3)lithium(I)]
PublikacjaThe title compound, [Li2(C9H14N)(C16H36P3)]n, is a by-product of the reaction of [Cp(C5H4CH2CH2NMe2)ZrCl2]n with tBu2P-P(SiMe3)Li in toluene. It is a coordination polymer composed of infinite chains running along [010]. One Li(I) atom is chelated by the cyclopentadienyl ring and and the N atom of the scorpionate ligand and a P atom, whereas the other Li(I) atom is coordinated by the backside of the cyclopentadienyl ring and two...
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Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublikacjaThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...
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A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System
PublikacjaThe structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....
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Formation of gold anostructures detected by SEM microscope
Dane BadawczeGold nanostructures were prepared on silicon - Si(111) as a substrate. The substrates (1 × 1 cm2 of area) were cleaned with acetylacetone and then rinsed in ethanol. Thin Au films (with thicknesses in a range of 1.7–5.0 nm) were deposited using a table-top dc magnetron sputtering coater (EM SCD 500, Leica) under pure Ar plasma conditions (Argon, Air...
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Liquid crystals thermography for technical and biomedical application
PublikacjaW artykule opisano termografię ciekłokrystaliczną jako technikę wykorzystu-jącą termochromatyczne ciekłe kryształy do badań technicznych i biomedycz-nych. W szczególności dotyczy to badań wymiany ciepła i masy, chorób skór-nych i podobnych. Praca zawiera ilustracje z badań przeprowadzonych przezautorów.
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Lithium tetrakis(tri-tert-butoxysilanethiolato)gallate(III). Acta Cryst.Sect. E Struct. Rep. [online]**2002 vol. 58 s. m728-m729, 1 rys. 1 tab. bibliogr. 13 poz. Tetrakis(tri-tert-butoksysilanotiolano)gallan(III) litu.
PublikacjaPraca opisuje syntezę oraz strukturę krystaliczną i cząsteczkową tetrakis(tri-tert-butoksysilanotiolano)gallanu(III) litu. Kation litu jest koordynowany wewnątrz cząsteczki przez dwa atomy tlenu z dwóch grup tert-butoksylo-wych. Strukturę wyznaczono stosując rentgenowską analizę strukturalną mono-kryształu.
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublikacjaAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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Synthesis and structural characterization of new cyclic siloxane with functionalized organic substituents
PublikacjaOcta(2-pyridyloxy)cyclotetrasiloxane was isolated as the product of the reaction between silicon disulfide and 2-hydroxypyridine. The new compound has been characterised by single crystal X-ray analysis, revealing a planar eight-membered ring with functionalized organic substituents on the silicon atoms.
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A nanostructured carbon-reinforced polyisobutylene-based thermoplastic elastomer
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Spontaneous generation of chirality and chiroptical spectra of N-nitroso-2,4-diaryl-3-azabicyclo[3.3.1]nonanes
PublikacjaBadane związki o szkielecie 2,4-diarylo-3-azabicyclo[3.3.1]nonanów krystalizują w chiralnej grupie przestrzennej jako konglomeraty, co oznacza że uzyskane, makroskopowej wielkości kryształy można rozdzielić manualnie na dwie grupy zgodnie z asymetrią ich powierzchni. Homochiralne kryształy wybranych enancjomerów zsyntetyzowanych związków poddano badaniom rentgenostrukturalnym oraz zarejestrowano ich widma CD i UV-vis. Konfigurację...
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Lattice-commensurate skyrmion texture in a centrosymmetric breathing kagome magnet
PublikacjaSkyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination...
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Arbutin: Isolation, X-ray structure and computional studies
PublikacjaArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
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La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublikacjaThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
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X-RAY DIFFRACTION STUDY OF BISMUTH LAYER-STRUCTURED MULTIFERROIC CERAMICS
PublikacjaGoal of the present research was to apply a solid state reaction route to fabricate bismuth layer-structured multiferroic ceramics described with the formula Bi5FeTi3O15 and reveal the influence of processing conditions on its crystal structure and phase composition. Simple oxide powders Bi2O3, TiO2 and Fe2O3 were used to fabricate Aurivillius-type bismuth layer-structured ferroelectrics. Pressureless sintering in ambient air was...