scholarly journals Unveiling the Reaction Mechanism during Li Uptake and Release of Nanosized “NiFeMnO4”: Operando X-ray Absorption, X-ray Diffraction, and Pair Distribution Function Investigations

ACS Omega ◽  
2019 ◽  
Vol 4 (1) ◽  
pp. 2398-2409 ◽  
Author(s):  
Stefan Permien ◽  
Anna-Lena Hansen ◽  
Jonas van Dinter ◽  
Sylvio Indris ◽  
Gero Neubüser ◽  
...  
Keyword(s):  
Distribution Function ◽  
Reaction Mechanism ◽  
Pair Distribution Function ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Absorption ◽  
Uptake And Release

scholarly journals X-ray spectroscopic and scattering methods applied to the characterisation of cobalt-based Fischer–Tropsch synthesis catalysts

2016 ◽  
Vol 6 (15) ◽  
pp. 5773-5791 ◽  
Author(s):  
Jennifer J. Herbert ◽  
Pierre Senecal ◽  
David J. Martin ◽  
Wim Bras ◽  
Simon K. Beaumont ◽  
...  
Keyword(s):  
Distribution Function ◽  
Absorption Spectroscopy ◽  
Pair Distribution Function ◽  
Tropsch Synthesis ◽  
X Ray Diffraction ◽  
Fischer Tropsch ◽  
X Ray ◽  
Synthesis Catalysts ◽  
Fisher Tropsch Synthesis ◽  
X Ray Absorption

This review aims to critically assess the use of X-ray techniques, both of a scattering (e.g. X-ray diffraction (XRD), pair distribution function (PDF)) and spectroscopic nature (X-ray absorption spectroscopy (XAFS)), in the study of cobalt-based Fisher–Tropsch synthesis (FTS) catalysts.

scholarly journals What happens structurally and chemically during sodium uptake and release by Ni2P2S6: a combined X-ray diffraction, X-ray absorption, pair distribution function and MAS NMR analysis

2020 ◽  
Vol 8 (42) ◽  
pp. 22401-22415
Author(s):  
Jonas van Dinter ◽  
Kevin Synnatschke ◽  
Tobias A. Engesser ◽  
Sylvio Indris ◽  
Niklas Wolff ◽  
...  
Keyword(s):  
Pair Distribution Function ◽  
Sodium Ion ◽  
Layered Compound ◽  
Sodium Ion Batteries ◽  
X Ray Diffraction ◽  
X Ray ◽  
Multi Method Approach ◽  
X Ray Absorption ◽  
Method Approach ◽  
Uptake And Release

The layered compound Ni2P2S6 was electrochemically characterized for application as an anode material in sodium-ion batteries (SIBs) and the corresponding reaction mechanism was investigated via a multi-method approach.

scholarly journals Effects of crystallite size on the structure and magnetism of ferrihydrite

2016 ◽  
Vol 3 (1) ◽  
pp. 190-202 ◽  
Author(s):  
Xiaoming Wang ◽  
Mengqiang Zhu ◽  
Luuk K. Koopal ◽  
Wei Li ◽  
Wenqian Xu ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Distribution Function ◽  
Crystallite Size ◽  
Absorption Spectroscopy ◽  
Pair Distribution Function ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Absorption

The structure and magnetic properties of nano-sized (1.6 to 4.4 nm) ferrihydrite samples are systematically investigated through a combination of X-ray diffraction (XRD), X-ray pair distribution function (PDF), X-ray absorption spectroscopy (XAS) and magnetic analyses.

scholarly journals Crystal Structure of Moganite and Its Anisotropic Atomic Displacement Parameters Determined by Synchrotron X-ray Diffraction and X-ray/Neutron Pair Distribution Function Analyses

Minerals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 272
Author(s):  
Seungyeol Lee ◽  
Huifang Xu ◽  
Hongwu Xu ◽  
Joerg Neuefeind
Keyword(s):  
Crystal Structure ◽  
Distribution Function ◽  
Single Crystal ◽  
Pair Distribution Function ◽  
Atomic Displacement ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutron Pair ◽  
Atomic Displacement Parameters

The crystal structure of moganite from the Mogán formation on Gran Canaria has been re-investigated using high-resolution synchrotron X-ray diffraction (XRD) and X-ray/neutron pair distribution function (PDF) analyses. Our study for the first time reports the anisotropic atomic displacement parameters (ADPs) of a natural moganite. Rietveld analysis of synchrotron XRD data determined the crystal structure of moganite with the space group I2/a. The refined unit-cell parameters are a = 8.7363(8), b = 4.8688(5), c = 10.7203(9) Å, and β = 90.212(4)°. The ADPs of Si and O in moganite were obtained from X-ray and neutron PDF analyses. The shapes and orientations of the anisotropic ellipsoids determined from X-ray and neutron measurements are similar. The anisotropic ellipsoids for O extend along planes perpendicular to the Si-Si axis of corner-sharing SiO4 tetrahedra, suggesting precession-like movement. Neutron PDF result confirms the occurrence of OH over some of the tetrahedral sites. We postulate that moganite nanomineral is stable with respect to quartz in hypersaline water. The ADPs of moganite show a similar trend as those of quartz determined by single-crystal XRD. In short, the combined methods can provide high-quality structural parameters of moganite nanomineral, including its ADPs and extra OH position at the surface. This approach can be used as an alternative means for solving the structures of crystals that are not large enough for single-crystal XRD measurements, such as fine-grained and nanocrystalline minerals formed in various geological environments.

Temperature-dependent synchrotron X-ray diffraction, pair distribution function and susceptibility study on the layered compound CrTe3

2018 ◽  
Vol 233 (6) ◽  
pp. 361-370 ◽  
Author(s):  
Anna-Lena Hansen ◽  
Bastian Dietl ◽  
Martin Etter ◽  
Reinhard K. Kremer ◽  
David C. Johnson ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Exchange Interactions ◽  
Structural Distortion ◽  
Layered Compound ◽  
Minor Amount ◽  
Zero Field ◽  
X Ray Diffraction ◽  
X Ray ◽  
Anisotropic Expansion

Abstract Results of combined synchrotron X-ray diffraction and pair distribution function experiments performed on the layered compound CrTe3 provide evidence for a short range structural distortion of one of the two crystallographically independent CrTe6 octahedra. The distortion is caused by higher mobility of one crystallographically distinct Te ion, leading to an unusual large Debye Waller factor. In situ high temperature X-ray diffraction investigations show an initial crystallization of a minor amount of elemental Te followed by decomposition of CrTe3 into Cr5Te8 and Te. Additional experiments provide evidence that the Te impurity (<1%) cannot be avoided. Analyses of structural changes in the temperature range 100–754 K show a pronounced anisotropic expansion of the lattice parameters. The differing behavior of the crystal axes is explained on the basis of structural distortions of the Cr4Te16 structural building units. An abrupt distortion of the structure occurs at T≈250 K, which then remains nearly constant down to 100 K. The structural distortion affects the spin exchange interactions between Cr3+ cations. A significant splitting between field-cooled (fc) and zero-field-cooled (zfc) magnetic susceptibility is observed below about 200 K. Applying a small external magnetic field results in a substantial spontaneous magnetization, reminiscent of ferro- or ferrimagnet exchange interactions below ~240 K. A Debye temperature of ~150 K was extracted from heat capacity measurements.

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.

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