Zero‐strain and long‐term stability of nanoscale lithium titanate (LTO) anode materials make possible the fabrication exceptionally stable ion batteries. But one issue must be considered that nanostructure‐induced relaxation in 2D LTO nanosheets which profoundly modifies their Li storage properties structural stability. Excessively intercalated ions at both 8 a 16 c sites trigger nucleation relaxed structure near‐surface region, impedes Li‐ion diffusion causes increasing polarization...

A new diffraction beamline for materials science has been built at the Canadian Light Source synchrotron. The X-ray source is an in-vacuum wiggler with a 2.5 T peak magnetic field 5.2 mm gap. optical configuration includes toroidal mirror, single side-bounce Bragg monochromator, and cylindrical producing sub-150 µm vertical × 500 horizontal focused beam photon energy range of 7–22 keV flux 10 12 photons per second sample position. Three endstations are currently open to general users,...

A maximum<italic>ZT</italic>of 0.964 was found for Sb0.5%Zn0.5% doped Mg₂Si, which is comparable to those of PbTe based thermoelectric materials.

The properties and applications of metal–organic frameworks (MOFs) are strongly dependent on the nature metals linkers, along with specific conditions employed during synthesis. Al-fumarate, trademarked as Basolite A520, is a porous MOF that incorporates aluminum centers fumarate linkers promising material for involving adsorption gases such CO2. In this work, solvothermal synthesis detailed characterization gallium- indium-fumarate MOFs (Ga-fumarate, In-fumarate) described. Using...

HudBay Minerals, Inc., has mined and/or processed Zn and Cu ore in Flin Flon, MB, Canada, since the 1930s. The boreal forest ecosystem soil surrounding these facilities have been severely impacted by mixed metal contamination H2SO4 deposition. Zinc is one of most prevalent smelter-derived contaminants identified as a key factor that may be limiting revegetation. Metal toxicity related to both total concentrations speciation; therefore, X-ray absorption spectroscopy fluorescence mapping were...

Rietveld refinement has been employed to estimate the crystalline phase compositions of multiphase calcium phosphate mixtures containing hydroxyapatite [Ca 5 (PO 4 ) 3 OH], and alpha beta tricalcium 2 ]. Two methods were using fixed structural models for all three phases refining zero offset, scale factors, lattice parameters one peak breadth parameter either a constant background (method A) or with two refined B). Analysis matrix quantitative standards across broad spectrum indicates that...

The JEB Tailings Management Facility (TMF) is central to reducing the environmental impact of uranium ore processing operation located at McClean Lake facility and operated by AREVA Resources Canada (AREVA). geochemical controls this are largely designed around idea that elements concern, such as Mo, will be controlled in very long term through equilibrium with supporting minerals. However, these systems far from when tailings first placed TMF, it can take years, decades, or centuries reach...

GSAS instrument parameters are tabulated for a variety of laboratory and synchrotron diffractometers to give users an idea the typical ranges profile when they generate their own parameter files. For modern high-resolution diffractometers, fall in 0&lt; U &lt;3, V =0, W &lt;4, 1&lt; X Y 1&lt;asym&lt;3, S / L &lt;0.03. &lt;1.2, −1&lt; &lt;0, &lt;1, 0&lt;asym&lt;0.5, &lt;0.001, H &lt;0.007. FULLPROF equivalents also reported. The factors which convoluted together described.

A recent study has shown the thermoelectric performance of Al-doped Mg2Si materials can be significantly enhanced at moderate pressure. To understand cause this phenomenon, we have performed in situ angle dispersive X-ray diffraction and infrared reflectivity measurements up to 17 GPa room temperature. Contrary previous experiment, using helium as a pressure transmission medium, no structural transformation was observed pure Mg2Si. In contrast, phase transition from cubic anti-fluorite...

Since the creation of Joint Committee on Powder Diffraction Standards (JCPDS) over sixty years ago, File (PDF) has been key source standard powder diffraction data for identification and analysis materials all types, from natural minerals high-tech ceramics to metals alloys pharmaceuticals. Although this editorially reviewed database mainstay pattern reference x-ray community, recent developments provide information tools electron diffraction. In years, International Centre Data (ICDD,...

Summary The versatility of synchrotron techniques for the solution oilfield questions is illustrated by application powder X-ray diffraction (PXRD) and absorption near-edge structure (XANES) spectroscopy to a toluene-insoluble oilfield-residue sample from an alkaline/surfactant/polymer (ASP) -flood site in Taber, Alberta, Canada. primary regarding were sources barium nitrogen (both at levels approximately 0.8 wt%). Synchrotron PXRD provided better signal–noise detection limits than...

In our recent study, we demonstrated using 7Li solid-state Nuclear Magnetic Resonance (ssNMR) and single-crystal X-ray diffraction that the cathode LiFeV2O7 possesses a defect associated with positioning of vanadium atoms. We proposed this could be source extra signals detected in spectra. context, now apply density functional theory (DFT) calculations to assign experimental observed NMR spectra pristine sample. The calculation results are strong agreement observations. DFT useful tool...

Synchrotron powder diffraction data from beamline 08B1-1 at the Canadian Light Source have been used to examine structure of curcumin, a prime component Asian spice turmeric. Rigid body refinement, with application restraints on distances and angles, was performed Rietveld software package GSAS yielding monoclinic lattice parameters = 12.6967(1) Å, b 7.198 52(3) c 19.9533(2) β 95.1241(6)° (C 21 H 20 O 6 , Z 4, space group P 2/ n ). The refinement compared recent single-crystal ab initio...

The crystal structure of trandolapril has been solved by parallel tempering using the FOX software package with laboratory powder diffraction data submitted to and published in Powder Diffraction File. Rietveld refinement was performed GSAS yielding orthorhombic lattice parameters a = 19.7685(4), b 15.0697(4), c 7.6704(2) Å (C 24 H 34 N 2 O 5 , Z 4, space group P 1 ). results were compared density functional theory (DFT) calculations CRYSTAL14. While structures are similar, discrepancies...

Synchrotron powder X-ray diffraction, absorption spectroscopy (XAS), and proton nuclear magnetic resonance ( 1 H-NMR) data have been used to examine the structure of hypoxanthine, 1,7-dihydro-6H-purin-6-one (C 5 H 4 N O), a purine base that participates in numerous metabolic processes. XAS H-NMR were determine hypoxanthine was present its keto form (both solid state dissolved an organic solvent). Rigid body refinement performed with Rietveld software package GSAS yielding triclinic lattice...