Thermal stability of Mg3Sb1.475Bi0.475Te0.05 high performance n-type thermoelectric investigated through powder X-ray diffraction and pair distribution function analysis

2018 ◽  
Vol 6 (35) ◽  
pp. 17171-17176 ◽  
Author(s):  
Lasse Rabøl Jørgensen ◽  
Jiawei Zhang ◽  
Christian Bonar Zeuthen ◽  
Bo Brummerstedt Iversen
Keyword(s):  
Thermal Stability ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
High Performance ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thermal Stability Of

The thermal stability of the high performance n-type Te-doped Mg3Sb1.5Bi0.5 system is investigated.

Pair distribution function analysis of X-ray diffraction from amorphous spheres in an asymmetric transmission geometry: application to a Zr58.5Cu15.6Ni12.8Al10.3Nb2.8glass

2013 ◽  
Vol 46 (4) ◽  
pp. 999-1007 ◽  
Author(s):  
J. C. Bendert ◽  
N. A. Mauro ◽  
K. F. Kelton
Keyword(s):  
Distribution Function ◽  
Error Propagation ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
Asymmetric Transmission ◽  
X Ray ◽  
Area Detector ◽  
Spherical Sample ◽  
Transmission Geometry

A method for the calculation of the pair distribution and structure functions from X-ray intensity data obtained with an area detector for an off-center incident X-ray beam on an amorphous sphere is presented. Error propagation for converting from the structure function to the pair distribution function is also described, including a summation series approach to treat the error from a high-qtruncation. A Zr58.5Cu15.6Ni12.8Al10.3Nb2.8glass (Vitreloy 106a) is used to demonstrate the techniques. In particular, the semi-analytical corrections presented to calculate the effects of secondary scatter within and asymmetric transmission through a spherical sample are verified.

scholarly journals Exploring the origins of crystallisation kinetics in hierarchical materials using in situ X-ray diffraction and pair distribution function analysis

2020 ◽  
Vol 22 (34) ◽  
pp. 18860-18867 ◽  
Author(s):  
Matthew E. Potter ◽  
Mark E. Light ◽  
Daniel J. M. Irving ◽  
Alice E. Oakley ◽  
Stephanie Chapman ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
Crystallisation Kinetics ◽  
Total Scattering ◽  
Hierarchically Porous ◽  
X Ray ◽  
Scattering Measurements

Novel in situ synchrotron total scattering measurements probe the assembly of primary building units into templated hierarchically porous aluminophosphate catalysts, providing unique insights to understanding crystallisation kinetics.

scholarly journals Pair distribution function analysis at the Brazilian synchrotron light source

2014 ◽  
Vol 70 (a1) ◽  
pp. C872-C872 ◽  
Author(s):  
Martín Saleta ◽  
Valmor Mastelaro ◽  
Eduardo Granado
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Room Temperature ◽  
Function Analysis ◽  
National Laboratory ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters ◽  
Synchrotron Light

The XDS beamline of the Synchrotron Light National Laboratory (LNLS), was designed to take advantage of the 4T superconducting multipole wiggler inserted in the storage ring. This multipurpose beam line is employed for X-ray diffraction and X-ray absorption spectroscopy in the energy range between 5 and 30 keV. The X-ray diffraction patterns can be acquired in two different arrangements: a) Bragg-Brentano configuration, using a scintillation detector with an analyzer and b) Debye-Scherrer configuration, where the sample is mounted into capillaries and the diffraction pattern is acquired with an arrangement of 6 Mythen detectors or a scintillator. The sample can be measured at different atmospheres and temperatures. The viability of the beamline for pair distribution function analysis (PDF) was tested measuring two different standards: 1) Al2O3 and 2) BaTiO3. The patterns were acquired at room temperature using the two detection setups at an energy of 20 keV. The samples were mounted inside 0.3 mm boron-rich glass capillaries. In addition to the sample pattern, we also measured the empty capillary (background) to subtract it to the sample data. The acquired and normalized patterns were converted into total scattering PDF (G(r)) with the PDFgetX3.[1] The experimental G(r) was fitted with the PDFgui.[2] Both data sets were fitted in the corresponding structural phase with cell parameters close to the ones reported in the literature. In the special case of the BaTiO3 sample, it was very carefully modeled. We particularly focused in evaluating if we can discriminate the correct structural phase, as this sample presents different phases (orthorhombic, tetragonal and cubic). We could identify that the sample, at room temperature, was at the expected tetragonal phase. Finally, we will present a preliminary analysis of the following systems: Pb1-xRxZr1-yTiyO3 (R=La&Ba) and Ba1-xRxZr1-yTiyO3 (R=La&Ca) at the ferro- and paraelectric states by PDF.

scholarly journals Electrochemical reactions in fluoride-ion batteries: mechanistic insights from pair distribution function analysis

2017 ◽  
Vol 5 (30) ◽  
pp. 15700-15705 ◽  
Author(s):  
Antonin Grenier ◽  
Ana-Gabriela Porras-Gutierrez ◽  
Henri Groult ◽  
Kevin A. Beyer ◽  
Olaf J. Borkiewicz ◽  
...  
Keyword(s):  
Distribution Function ◽  
Detailed Analysis ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Electrochemical Reactions ◽  
Fluoride Ion ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pdf Analysis

Detailed analysis of electrochemical reactions occurring in rechargeable Fluoride-Ion Batteries (FIBs) is provided by means of synchrotron X-ray diffraction (XRD) and Pair Distribution Function (PDF) analysis.

Modelling and quantification of intergrowth in γ-MnO2by laboratory pair distribution function analysis

2014 ◽  
Vol 47 (2) ◽  
pp. 552-560 ◽  
Author(s):  
Kevin Galliez ◽  
Philippe Deniard ◽  
Pierre-Emmanuel Petit ◽  
David Lambertin ◽  
Florence Bart ◽  
...  
Keyword(s):  
Distribution Function ◽  
Solid State ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Empirical Approach ◽  
X Ray Diffraction ◽  
Full Agreement ◽  
X Ray ◽  
Actual Material ◽  
Two Phases

γ-MnO2is a material formed by random intergrowth of two phases, β-MnO2andR-MnO2. It is demonstrated here on seven γ-MnO2samples that pair distribution function analysis using a conventional X-ray diffraction setup (Bragg–Brentano geometry with a molybdenum anode) allows the quantification of this intergrowth simplyviaa simulation of the actual material by a mixture of β-MnO2andR-MnO2phases. Although this method does not take into account specifically the relaxed distances in the vicinity of the intergrowth zone, it is found to be very robust, accurate and in full agreement with the widely used quantification based on the empirical approach of Chabre & Pannetier [Prog. Solid State Chem.(1995),23, 1–130].

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