Search results for " diffraction"
showing 10 items of 896 documents
New Microbe Killers: Self-Assembled Silver(I) Coordination Polymers Driven by a Cagelike Aminophosphine
2019
New Ag(I) coordination polymers, formulated as [Ag(µ
Theoretical and practical aspects of chemical functionalization of carbon nanofibers (CNFs): DFT calculations and adsorption study
2011
The nitric acid-functionalized commercial carbon nanofibers (CNFs) were comprehensively studied by instrumental (XRD, BET, SEM, TGA) and theoretical (DFT calculations) methods. The detailed surface study revealed the variation in the characteristics of functionalized CNFs, such as a decreased (up to 34%) surface area and impacted structural, electronic and chemical properties. The effects of functional groups were studied by comparison with pristine nanofibers. The results showed that the C-C bond lengths of the modified CNFs varied significantly. Chemical functionalization altered the frontier orbitals of the pristine material, and therefore altered the nature of their interactions with ot…
Photocatalytic activity of TiO2/SiO2 systems
2009
Silica-supported TiO(2) powders were synthesized by a wet method under mild conditions. The aim of the work was the preparation of TiO(2)/SiO(2) additives for photocatalytic cements. Three types of commercial SiO(2) were used as supports: Cabot, Axim and Fly Ash. Cabot silica was ultra-pure whereas the other two silica contained different percentages of various oxides. The TiO(2)/SiO(2) samples, denoted TiO(2)/Cabot, TiO(2)/Axim and TiO(2)/Fly Ash, were prepared by boiling suspensions obtained by addition of silica to a solution of TiCl(4) in water (volume ratio 1:10). The photocatalytic activity was evaluated in a gas-solid system both in batch and in continuous reactors using 2-propanol a…
Comparative study of the high-pressure behavior of ZnV2O6, Zn2V2O7, and Zn3V2O8
2020
We report a study of the high-pressure structural behavior of ZnV2O6, Zn2V2O2, and Zn3V2O8, which has been explored by means of synchrotron powder x-ray diffraction. We found that ZnV2O6 and Zn3V2O8 remain in the ambient-pressure structure up to 15 GPa. In contrast, in the same pressure range, Zn2V2O2 undergoes three phase transitions at 0.7, 3.0, and 10.8 GPa, respectively. Possible crystal structures for the first and second high-pressure phases are proposed. Reasons for the distinctive behavior of Zn2V2O2 are discussed. The compressibility of the different polymorphs has been determined. The response to pressure is found to be anisotropic in all the considered compounds and the room-temp…
High-pressure structural and elastic properties of Tl2O3
2014
The structural properties of Thallium (III) oxide (Tl2O3) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab initio total-energy calculations. The equation of state of Tl2O3 has been determined and compared to related compounds. It has been found experimentally that Tl2O3 remains in its initial cubic bixbyite-type structure up to 22.0 GPa. At this pressure, the onset of amorphization is observed, being the sample fully amorphous at 25.2 GPa. The sample retains the amorphous state after pressure release. To understand the pressure-induced amorphization process, we h…
Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO3
2017
[EN] The effects of high pressure on the crystal structure of orthorhombic (Pnma) perovskite-type cerium scandate were studied in situ under high pressure by means of synchrotron X-ray powder diffraction, using a diamond-anvil cell. We found that the perovskite-type crystal structure remains stable up to 40 GPa, the highest pressure reached in the experiments. The evolution of unit-cell parameters with pressure indicated an anisotropic compression. The room-temperature pressure¿volume equation of state (EOS) obtained from the experiments indicated the EOS parameters V0 = 262.5(3) Å3 , B0 = 165(7) GPa, and B0¿ = 6.3(5). From the evolution of microscopic structural parameters like bond distan…
Mechanical properties and microstructural study of homogeneous and heterogeneous laser welds in α, β,and α + β titanium alloys
2018
International audience; Heterogeneous welding has been investigated for three different couples of titanium alloys: α/α + β, α/β,andα + β/β. Plates of 100 × 60 mm and 1.6 or 1.8 mm thick were welded with a Yb:YAG laser. Tensile tests show that the resistance of the heterogeneous welded specimens was generally controlled by those of the weakest material except for the α + β/β where the ultimate tensile strength was approximately equal to the average value of both materials. In every case, the elongation of the welded sample was found to be smaller than that of the base metals. The rupture generally took place outside the weld metal and was found to be most of the time located in the alloy ha…
Structure and composition heterogeneity of a FeAl alloy prepared by one-step synthesis and consolidation processing and their influence on grain size…
2006
Abstract This paper aims to characterize a bulk dense FeAl (47 at.%) alloy synthesized and consolidated by one-step current-activated pressure-assisted processing of nanocrystalline elemental powders. The end-product was analyzed using a combination of scanning (SEM) and transmission electron microscopies (TEM), electron back-scattering diffraction (EBSD) as well as electron probe microanalysis (EPMA). Special attention was paid to verify the grain size (32–89 nm) previously determined by X-ray diffraction peak profile analysis. It has been found that this material displays equiaxed grains (0.8–4 μm in size) and contains limited structural defects like subgrains and dislocations. The EPMA r…
Flecainide acetate acetic acid solvates.
2011
Flecainide acetate forms acetic acid solvates with 0.5 and 2 acetic acid molecules. Powder X-ray diffraction, differential thermal analysis/thermogravimetric, infrared, and potentiometric titration were used to determine the composition of solvates. Flecainide acetate hemisolvate with acetic acid decomposes to form a new crystalline form of flecainide acetate. This form is less stable than the already known polymorphic form at all temperatures, and it is formed due to kinetic reasons. Both flecainide acetate nonsolvated and flecainide acetate hemisolvate forms crystallize in monoclinic crystals, but flecainide triacetate forms triclinic crystals. Solvate formation was not observed when flec…
Metasurfaces for colour printing
2014
We present a theoretical analysis and experimental evidences of metasurfaces based on particle resonators that achieve bright-field colour prints. We created pixels that support individual colours, miniaturized and juxtaposed at the optical diffraction limit. Different strategies are followed to offer the flexibility of using both transmitting and epi (reflective) white light sources. We discuss their potential applications in large-volume colour printing via nanoimprint lithography.