Similarities in 2- and 6-Line Ferrihydrite Based on Pair Distribution Function Analysis of X-ray Total Scattering

2007 ◽  
Vol 19 (6) ◽  
pp. 1489-1496 ◽  
Author(s):  
F. M. Michel ◽  
L. Ehm ◽  
G. Liu ◽  
W. Q. Han ◽  
S. M. Antao ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Total Scattering ◽  
X Ray

scholarly journals Total-scattering pair-distribution function analysis of zinc from high-energy synchrotron data

2019 ◽  
Vol 33 (33) ◽  
pp. 1950410 ◽  
Author(s):  
Ahmad S. Masadeh ◽  
Moneeb T. M. Shatnawi ◽  
Ghosoun Adawi ◽  
Yang Ren
Keyword(s):  
Crystal Structure ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
High Energy ◽  
Ambient Conditions ◽  
Total Scattering ◽  
X Ray ◽  
Zinc Metal ◽  
Pdf Analysis

The crystal structure of zinc metal deviates from the ideal hexagonal close packing structure by a significantly increased axial ratio (c/a). The local atomic structure of zinc metal is investigated using the total scattering atomic pair distribution function (PDF) analysis based on X-ray powder diffraction data collected at ambient conditions. The X-ray total scattering PDF analysis confirms that the crystal structure of zinc can be described in terms of wurtzite structure, but with an anomalously atomic displacement parameters [Formula: see text], indicating a significant displacement disorder along the [Formula: see text]-axis. For the long [Formula: see text]-range PDF refinements, the thermal motion of zinc shows a notable anisotropy as expressed by the ratio [Formula: see text]/[Formula: see text] of 2.5 at ambient conditions. This average distortion level along the [Formula: see text]-axis, was not reflected locally for the features below 5.0 Å as it fits the high [Formula: see text] region. Based on PDF refinements over different [Formula: see text]-ranges, we measure an interesting increase of the [Formula: see text] value with decreasing the [Formula: see text]-range of the refinement. This suggests that the local structure features in zinc metal differ from the average structure ones.

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.

X-ray total scattering study of magic-size clusters and quantum dots of cadmium sulphide

Nanoscale ◽  
2019 ◽  
Vol 11 (45) ◽  
pp. 21900-21908 ◽  
Author(s):  
Lei Tan ◽  
Alston J. Misquitta ◽  
Andrei Sapelkin ◽  
Le Fang ◽  
Rory M. Wilson ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Cadmium Sulphide ◽  
Cds Quantum Dots ◽  
Total Scattering ◽  
X Ray ◽  
Scattering Study

Four types of magic-size CdS clusters and three different CdS quantum dots have been studied using the technique of X-ray total scattering and pair distribution function analysis.

scholarly journals Formation and growth mechanism for niobium oxide nanoparticles: Atomistic insight from in situ X-ray total scattering

Nanoscale ◽  
2021 ◽  
Author(s):  
Olivia Aalling-Frederiksen ◽  
Mikkel Juelsholt ◽  
Andy Sode Anker ◽  
Kirsten Marie Ørnsbjerg Jensen
Keyword(s):  
Distribution Function ◽  
Growth Mechanism ◽  
Pair Distribution Function ◽  
Niobium Oxide ◽  
Function Analysis ◽  
Nucleation And Growth ◽  
Oxide Nanoparticles ◽  
Total Scattering ◽  
X Ray

Understanding the mechanisms for nanoparticle nucleation and growth is crucial for the development of tailormade nanomaterials. Here, we use X-ray total scattering and Pair Distribution Function analysis to follow the...

scholarly journals Detection and characterization of nanoparticles in suspension at low concentrations using the X-ray total scattering pair distribution function technique

Nanoscale ◽  
2015 ◽  
Vol 7 (12) ◽  
pp. 5480-5487 ◽  
Author(s):  
Maxwell W. Terban ◽  
Matthew Johnson ◽  
Marco Di Michiel ◽  
Simon J. L. Billinge
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Function Technique ◽  
Dilute Solution ◽  
Total Scattering ◽  
X Ray ◽  
Low Concentrations ◽  
Nanoscale Structure

Total scattering experiments are used with pair distribution function analysis to study nanoscale structure and morphology in highly disordered samples. We investigate sensitivity for the case of organic nanoparticles in dilute solution.

Real-Space X-Ray Pair Distribution Function Analysis and Molecular-Dynamics Modelling of Diflunisal Channel Hydrates

2020 ◽  
Author(s):  
Anuradha Pallipurath ◽  
Francesco Civati ◽  
Jonathan Skelton ◽  
Dean Keeble ◽  
Clare Crowley ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Structural Dynamics ◽  
First Principles ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Real Space ◽  
X Ray ◽  
Dynamics Modelling ◽  
Dynamics Simulations

X-ray pair distribution function analysis is used with first-principles molecular dynamics simulations to study the co-operative H<sub>2</sub>O binding, structural dynamics and host-guest interactions in the channel hydrate of diflunisal.

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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