Search results for "Diffraction"
showing 10 items of 1584 documents
Solution Synthesis of a New Thermoelectric Zn1-xSb Nanophase and Its Structure Determination Using Automated Electron Diffraction Tomography
2010
Engineering materials with specific physical properties have recently focused on the effect of nanoscopic inhomogeneities at the 10 nm scale. Such features are expected to scatter medium- and long-wavelength phonons thereby lowering the thermal conductivity of the system. Low thermal conductivity is a prerequisite for effective thermoelectric materials, and the challenge is to limit the transport of heat by phonons, without simultaneously decreasing charge transport. A solution-phase technique was devised for synthesis of thermoelectric "Zn(4)Sb(3)" nanocrystals as a precursor for phase segregation into ZnSb and a new Zn-Sb intermetallic phase, Zn(1+delta)Sb, in a peritectoid reaction. Our …
Thermal behaviour and electrochemical properties of bis(trifluoromethanesulfonyl)amide and dodecatungstosilicate viologen dimers
2012
We report the synthesis and characterization of dimeric viologen salts (1',1''-(alkane-1,n-diyl)bis(1-ethyl-4,4'-bipyridinium) with n = 4-10) with bis(trifluoromethanesulfonyl)amide (bistriflimide, Tf(2)N(-)) as a counteranion. For n = 4, 5 and 6, and for the nonylviologen cation (1,1'-dinonyl-4,4'-bipyridinium) we also prepared salts with the totally inorganic dodecatungstosilicate anion, SiW(12)O(40)(4-), featuring a poly-charged surface and nanosized dimensions. The materials have been characterized by means of calorimetric techniques, X-ray diffraction and solid state NMR and a comparison is made with analogous monomeric viologen salts exhibiting smectic mesophases. A strong odd-even ef…
Structure optimization of azobenzene oligomers for holography
2005
Azobenzene oligomer layers with side chain chromofore groups (ChG) has been experimentally studied to optimize scalar and vector hologram recording at 633 nm. ChG with different acceptors (Br, NO2, H, CN) and different bonding type to the matrix (dispersed without bonding or with covalent bonding) were used. The influence of oligomer matrix (polyvinylbuthirol, tolyle, hexamethylene, polyvinylpirolidone, double matrix) and spacers was also studied. The best results (the maximal diffraction efficiency of 7.9% and the minimal specific recording energy of 0.38 J/(cm2 %)) are obtained for ChG with one NO2 acceptor group covalently bonded to tolyle matrix. Double matrix considerably decreases the…
Study of percolation and clustering in supercritical water-CO2 mixtures
2008
The microscopic structure of supercritical water-CO(2) mixture is investigated by neutron diffraction experiments exploiting the isotopic HD substitution. The investigated water reach mixtures are in the liquidlike region of the phase diagram, according to the behavior of the radial distribution functions, yet a reduction of the average number of hydrogen bonds, compared to equivalent states of pure water, is found. As a consequence, the average dimension of water clusters is reduced and the system stays below the percolation threshold. These results, along with the shift of the main peaks of the site-site radial distribution functions, suggest that the excess volume in these supercritical …
Ionic conductivity in monophasic Ag2xNa2(1 − x)ZnSiO4 materials with 0 ≤ x ≤ 1
1996
Abstract Solid solution samples Ag 2 x Na 2(1 − x ) ZnSiO 4 with 0 ≤ x ≤ 1 have been prepared by heat treating powder mixtures of Na 2 ZnSiO 4 and Ag 2 ZnSiO 4 at 300 °C and characterised by X-ray powder diffraction. The ionic conductivity of the solid solution has been determined as a function of composition and temperature by means of impedance measurements. The ionic conductivity of the mixed-mobile ion compositions (0 ≤ x ≤ 1) shows no substantial deviation from the mutually similar conductivities of the end compositions Na 2 ZnSiO 4 and Ag 2 ZnSiO 4 , and neither activation energy nor conductivity pre-factor varies significantly with composition. The results indicate that the mixed-alk…
Magnetism in Polyoxometalates: Anisotropic Exchange Interactions in the Co Moiety of [Co3W(D2O)2(ZnW9O34)2]12−—A Magnetic and Inelastic Neutron Scatt…
2002
The ground-state properties of a Co moiety encapsulated in a polyoxometalate anion were investigated by combining measurements of specific heat, magnetic susceptibility, and low-temperature magnetization with a detailed inelastic neutron scattering (INS) study on a fully deuterated polycrystalline sample of Na12[Co3W(D2O)2(ZnW9O34)2]⋅40 D2O (Co3). The ferromagnetic Co3O14 cluster core consists of three octahedrally oxo-coordinated CoII ions. According to the single-ion anisotropy and spin–orbit coupling of the octahedral CoII ions, the appropriate exchange Hamiltonian to describe the ground-state properties of the Co3 spin cluster is anisotropic and is expressed as ℋ=−2Σ(JŜ1αŜ2α+JŜ2αŜ3α), w…
Crystal structures of R2Pd2Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu) compounds
2004
Abstract The crystal structures of the R2Pd2Pb (R=Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu) compounds were determined using X-ray powder diffraction. The investigated compounds crystallize with Mo2FeB2 structure type (space group P4/mbm, Pearson code tP10). The importance of stabilization by polar intermetallic R–Pd bonding is underscored by a bonding analysis derived from electronic band structure calculations.
Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data
2014
The crystal structure of the novel Al77Rh15Ru8phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al77Rh15Ru8E-phase is orthorhombic [Pbma,a= 23.40 (5),b= 16.20 (4) andc= 20.00 (5) Å] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and high-resolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E…
Canted Antiferromagnetism on Rectangular Layers of Fe2+ in Polymorphic CaFeSeO
2017
From stoichiometric amounts of CaO, Fe, and Se, pure powders and single crystals of quaternary Ca[FeSe2/2O2/2]∞2 can be obtained by solid-state reaction and self-flux growth, respectively. The as-synthesized compound exhibits a polymorphic crystal structure, where the two modifications have different stacking sequences of [FeSe2/2O2/2]2−∞2 layers. The two polymorphs have similar unit cells but different crystal symmetries (Cmc21 and Pnma), of which the former is non-centrosymmetric. Fe is divalent (d6) and high-spin, as proven by X-ray spectroscopy, Mossbauer spectroscopy, and powder neutron diffraction data. The latter two, in combination with magnetic susceptibility and specific heat data…
Average versus local structure in K2NiF4-type LaSrAlO4: direct experimental evidence of local cationic ordering
2012
The long-range ordering of a crystalline material can be accurately determined by analyzing the Bragg intensities and positions. In contrast, direct observation of short-range ordering in crystalline materials, which is increasingly considered of fundamental importance to unravel the structure-property relationships that underpin their technological applications, is a challenging task. In this study we have investigated the structure of LaSrAlO4, a representative example of compounds with the K2NiF4-type structure. By the combined use of synchrotron and neutron diffraction, pair distribution function analysis, Al-27 MQMAS NMR and atomistic simulations we have highlighted differences between…