Search results for " Crystal"
showing 10 items of 3073 documents
BaCoO3 monoclinic structure and chemical bonding analysis: hybrid DFT calculations
2021
Cobalt based perovskites have great potential for numerous applications. Contrary to a generally assumed hexagonal space group (SG P63/mmc) model as the ground state of BaCoO3 (BCO), our hybrid DFT calculations with B1WC density functional and the symmetry group–subgroup derived crystal structure model support the ground state of BCO to be indeed monoclinic, in agreement with recent experimental predictions [Chin et al., Phys. Rev. B, 2019, 100, 205139]. We found for the monoclinic BCO that the C-type anti-ferromagnetic low-spin (AFM LS) state (SG P2/c) is energetically only slightly more preferential at 0 K than the ferromagnetic (FM) LS state (SG C2/c). In turn, these monoclinic structure…
Steering of a Sub-GeV electron beam through planar channeling enhanced by rechanneling
2014
We report the observation of efficient steering of a 855 MeV electron beam at MAMI (MAinzer MIkrotron) facilities by means of planar channeling and volume reflection in a bent silicon crystal. A $30.5\text{ }\text{ }\ensuremath{\mu}\mathrm{m}$ thick plate of (211) oriented Si was bent to cause quasimosaic deformation of the (111) crystallographic planes, which were used for coherent interaction with the electron beam. The experimental results are analogous to those recorded some years ago at energy higher than 100 GeV, which is the only comparable study to date. Monte Carlo simulations demonstrated that rechanneling plays a considerable role in a particle's dynamics and hinders the spoiling…
Structural insights into M2O-Al2O3-WO3 (M = Na, K) system by electron diffraction tomography.
2015
TheM2O–Al2O3–WO3(M= alkaline metals) system has attracted the attention of the scientific community because some of its members showed potential applications as single crystalline media for tunable solid-state lasers. These materials behave as promising laser host materials due to their high and continuous transparency in the wide range of the near-IR region. A systematic investigation of these phases is nonetheless hampered because it is impossible to produce large crystals and only in a few cases a pure synthetic product can be achieved. Despite substantial advances in X-ray powder diffraction methods, structure investigation on nanoscale is still challenging, especially when the sample i…
A Composite Phononic Crystal Design for Quasiparticle Lifetime Enhancement in Kinetic Inductance Detectors
2020
A nanoscale phononic crystal filter (reflector) is designed for a kinetic inductance detector where the reflection band is matched to the quasiparticle recombination phonons with the aim to increase quasiparticle lifetime in the superconducting resonator. The inductor is enclosed by a 1-μm-wide phononic crystal membrane section with two simple hole patterns that each contain a partial spectral gap for various high-frequency phonon modes. The phononic crystal is narrow enough for low-frequency thermal phonons to propagate unimpeded. With 3D phonon scattering simulation over a 40 dB attenuation in transmitted power is found for the crystal, which is estimated to give a lifetime enhancement of…
Up-conversion and Photoluminescence in Er3+ Single Crystal MgAl-spinel
2015
Abstract Traditional and up-conversion luminescence of MgAl 2 O 4 single crystal doped with erbium ions obtained by the Verneuil method has been investigated. The time resolved spectral measurements of the green and red up-conversion luminescence bands show that a build-up part is present in the up-conversion luminescence kinetics. This means that energy transfer process is involved in the creation of the luminescence. Considering rather small concentration of Er 3+ in the material (0.12 mass %), the expected up-conversion mechanism should be excited state absorption since the average distance between erbium ions is high. The above-mentioned considerations suggest that clustering of the act…
High temperature ferro-paraelectric phase transition in tris(trimethylammonium) nonachlorodiantimonate(III) (TMACA) studied by X-ray diffraction meth…
2000
Abstract The structure of [NH(CH3)3]3Sb2Cl9, tris(trimethylammonium) nonachlorodiantimonate(III) (TMACA) has been determined at 295 K and 373 K, below and above the high temperature ferro-paraelectric phase transition. In both phases the anionic sublattice of TMACA is built of characteristic two-dimensional (Sb2Cl93−)n polyanionic layers lying in the bc plane. In room temperature, ferroelectric phase (monoclinic, Pc space group) there are three crystallographically non-equivalent trimethylammonium [NH(CH3)3]+ cations. Two of them are located between polyanionic layers and the third one, disordered, inside the cavity formed by six SbCl63− octahedra. In the high temperature paraelectric phase…
One-pot synthesis of fluorinated 2-amino-pyrimidine-N-oxides. Competing pathways in the four-atom side-chain rearrangements of 1,2,4-oxadiazoles
2006
Abstract Trifluoromethylated 2-amino-pyrimidine N-oxides have been synthesized by reaction of the 3-amino-5-methyl-1,2,4-oxadiazole with trifluoromethyl-β-diketones in the presence of perchloric acid, followed by hydrolysis. In this ring-to-ring transformation an initial formation of (unisolated) 1,2,4-oxadiazole-pyrimidinium salts, and subsequent ring-opening at the oxadiazole moiety occurs. Isolation of 2-(hydroxyamino)-pyrimidine from the reaction mixture evidenced the presence of a competing pathway where the N(4) nitrogen of the oxadiazole is involved in the formation of a regioisomeric pyrimidinium salt. The effect of the trifluoromethyl group on the product distribution is discussed.…
Liposomes modified by mono- and bis-phthalocyanines: A comprehensive EPR study.
2016
The impact of selected metallophthalocyanines, featuring diverse molecular structure, upon the fluidity of liposome membranes was studied using the spin label EPR technique. The “mono”-type MPc’s (M = Zn, Sn; Pc = C32H16N8 is the phthalocyanine ligand) and sandwich LnPc2 complexes (Ln = Nd, Sm, Gd) were explored. Liposomes were obtained in a sonication process, from egg yolk lecithin (EYL) in water. TEMPO and 16-DOXYL spin labels were used to monitor the peripheral and central part of the lipid double layer, respectively, which allowed to localize the phthalocyanine additive within the bilayer, as well as to perform independent measurements of changes in fluidity upon addition thereof. All …
Adsorption of gelatin during electrodeposition of copper and tin-copper alloys from acid sulfate electrolyte
2014
International audience; An acid Cu–Sn deposition bath was developed, and copper and copper–tin coatings were electrodeposited on polycrystalline platinum. The effect of gelatin on copper and copper–tin electrodeposition from acid sulfate solutions has been investigated by a variety of electrochemical methods (voltammetric studies and electrochemical quartz crystal microbalance) as well as by morphologic technique (scanning electron microscopy). The electrochemical results have shown that the overpotential is required when gelatin is added, indicating the presence of interaction between the additive and the coating. From the results of X-ray photoelectron spectroscopy, PM-IRRAS and cyclic vo…
Multinuclear and Solid State NMR of Gels
2020
Over the past six decades, nuclear magnetic resonance spectroscopy has been an integral part of synthetic organic and organometallic chemistry, as well as biochemistry. Beyond solution state experiments, increasing developments have opened new avenues to study materials in their solid state. Between two extremes (i.e., solution and solid), there exist several other forms of materials, especially soft materials such as gels and liquid crystals. Traditionally gels have been studied using solution state NMR spectroscopic methods. However, the viscosity of complex viscoelastic fluids such as gels affects the molecular tumbling, which in turn affects the chemical shift anisotropy and dipolar and…