scholarly journals Surfactant-free syntheses and pair distribution function analysis of osmium nanoparticles

2021 ◽  
Author(s):  
Mikkel Juelsholt ◽  
Jonathan Quinson ◽  
Emil Kjær ◽  
Baiyu Wang ◽  
Rebecca Pittkowski ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Large Scale ◽  
Function Analysis ◽  
Scale Production ◽  
Synthetic Process ◽  
X Ray ◽  
Large Scale Production ◽  
Pdf Analysis ◽  
Alkaline Conditions

A surfactant-free synthesis of precious metal nanoparticles performed in low boiling point solvents and in alkaline conditions has been reported recently. This strategy presents several advantages over alternative colloidal syntheses. The resulting nanoparticles are readily relevant for applications like catalysis and the synthetic process is compatible with large scale production. Alkaline mono-alcohols are here investigated as solvent and reducing agents to obtain colloidal Os nanoparticles by this low temperature (< 100 °C) surfactant-free synthesis. The effect of precursor (OsCl3 or H2OsCl6), precursor concentration (up to 100 mM), solvent (methanol or ethanol), presence or absence of base (NaOH) and addition of water (0 to 100 v.%) on the resulting nanomaterials is discussed. It is fond that no base is required to obtain Os nanoparticles as opposed to the case of Pt NPs for instance. The robustness of the synthesis for concentration of precursor up to 100 mM allows to perform X-ray total scattering with pair distribution function (PDF) analysis that shows that the 1-2 nm hcp NPs forms from chain-like [OsOxCly]-complexes.

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 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.

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.

scholarly journals Structural Analysis of Ligand Protected Smaller Metallic Nanocrystals by Atomic Pair Distribution Function Under Precession Electron Diffraction

2019 ◽  
Author(s):  
M. Mozammel Hoque ◽  
Sandra Vergara ◽  
Partha P. Das ◽  
Daniel Ugarte ◽  
Ulises Santiago ◽  
...  
Keyword(s):  
Distribution Function ◽  
Electron Diffraction ◽  
Pair Distribution Function ◽  
Electron Diffraction Data ◽  
Face Centered Cubic ◽  
X Ray ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair ◽  
Pdf Analysis ◽  
Precession Electron Diffraction

Atomic pair distribution function (PDF) analysis has been widely used to investigate nanocrystalline and structurally disordered materials. Experimental PDFs retrieved from electron diffraction (ePDF) in transmission electron microscopy (TEM) represent an attractive alternative to traditional PDF obtained from synchrotron X-ray sources, when employed on minute samples. Nonetheless, the inelastic scattering produced by the large dynamical effects of electron diffraction may obscure the interpretation of ePDF. In the present work, precession electron diffraction (PED-TEM) has been employed to obtain the ePDF of two different sub-monolayer samples ––lipoic acid protected (~ 4.5 nm) and hexanethiolated(~ 4.2 nm, ~ 400-kDa core mass) gold nanoparticles­­––randomly oriented and measured at both liquid-nitrogen and room temperatures, with high dynamic-range detection of a CMOS camera. The electron diffraction data were processed to obtain ePDFs which were subsequently compared with PDF of different ideal structure-models. The results demonstrate that the PED-ePDF data is sensitive to different crystalline structures such as monocrystalline (truncated octahedra) versus multiply-twinned (decahedra, icosahedra) structuresof the face-centered cubic gold lattice. The results indicate that PED reduces the residual from 46% to 29%; in addition, the combination of PED and low temperature further reduced the residual to 23%, which is comparable to X-ray PDF analysis. Furthermore, the inclusion of PED resulted in a better estimation of the coordination number from ePDF. To the best of our knowledge, the precessed electron-beam technique (PED) has not been previously applied to nanoparticles for analysis by the ePDF method.

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.

Cation distribution of Mn-Zn ferrite nanoparticles using pair distribution function analysis and resonant X-ray scattering

2018 ◽  
Vol 124 (5) ◽  
pp. 56001 ◽  
Author(s):  
Rodrigo U. Ichikawa ◽  
João P. R. L. L. Parra ◽  
Oriol Vallcorba ◽  
Inma Peral ◽  
Walter K. Yoshito ◽  
...  
Keyword(s):  
Distribution Function ◽  
Cation Distribution ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Ferrite Nanoparticles ◽  
X Ray ◽  
X Ray Scattering ◽  
Zn Ferrite ◽  
Ray Scattering

scholarly journals SASPDF: pair distribution function analysis of nanoparticle assemblies from small-angle scattering data

2020 ◽  
Vol 53 (3) ◽  
pp. 699-709 ◽  
Author(s):  
Chia-Hao Liu ◽  
Eric M. Janke ◽  
Ruipen Li ◽  
Pavol Juhás ◽  
Oleg Gang ◽  
...  
Keyword(s):  
Distribution Function ◽  
Small Angle ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
Nanoparticle Assemblies ◽  
Angle Scattering ◽  
Pdf Analysis ◽  
Crystallite Sizes

SASPDF, a method for characterizing the structure of nanoparticle assemblies (NPAs), is presented. The method is an extension of the atomic pair distribution function (PDF) analysis to the small-angle scattering (SAS) regime. The PDFgetS3 software package for computing the PDF from SAS data is also presented. An application of the SASPDF method to characterize structures of representative NPA samples with different levels of structural order is then demonstrated. The SASPDF method quantitatively yields information such as structure, disorder and crystallite sizes of ordered NPA samples. The method was also used to successfully model the data from a disordered NPA sample. The SASPDF method offers the possibility of more quantitative characterizations of NPA structures for a wide class of samples.

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