Chasing Changing Nanoparticles with Time-Resolved Pair Distribution Function Methods

2012 ◽  
Vol 134 (11) ◽  
pp. 5036-5039 ◽  
Author(s):  
Mark A. Newton ◽  
Karena W. Chapman ◽  
David Thompsett ◽  
Peter J. Chupas
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Time Resolved

scholarly journals Time-resolved pair distribution function analysis of disordered materials on beamlines BL04B2 and BL08W at SPring-8

2018 ◽  
Vol 25 (6) ◽  
pp. 1627-1633 ◽  
Author(s):  
Koji Ohara ◽  
Satoshi Tominaka ◽  
Hiroki Yamada ◽  
Masakuni Takahashi ◽  
Hiroshi Yamaguchi ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Structural Changes ◽  
Function Analysis ◽  
Image Data ◽  
High Energy ◽  
Disordered Materials ◽  
X Rays ◽  
Two Dimensional ◽  
Time Resolved

A dedicated apparatus has been developed for studying structural changes in amorphous and disordered crystalline materials substantially in real time. The apparatus, which can be set up on beamlines BL04B2 and BL08W at SPring-8, mainly consists of a large two-dimensional flat-panel detector and high-energy X-rays, enabling total scattering measurements to be carried out for time-resolved pair distribution function (PDF) analysis in the temperature range from room temperature to 873 K at pressures of up to 20 bar. For successful time-resolved analysis, a newly developed program was used that can monitor and process two-dimensional image data simultaneously with the data collection. The use of time-resolved hardware and software is of great importance for obtaining a detailed understanding of the structural changes in disordered materials, as exemplified by the results of commissioned measurements carried out on both beamlines. Benchmark results obtained using amorphous silica and demonstration results for the observation of sulfide glass crystallization upon annealing are introduced.

Applications of an amorphous silicon-based area detector for high-resolution, high-sensitivity and fast time-resolved pair distribution function measurements

2007 ◽  
Vol 40 (3) ◽  
pp. 463-470 ◽  
Author(s):  
Peter J. Chupas ◽  
Karena W. Chapman ◽  
Peter L. Lee
Keyword(s):  
Distribution Function ◽  
Amorphous Silicon ◽  
Pair Distribution Function ◽  
High Sensitivity ◽  
High Energy ◽  
Scattering Data ◽  
Fast Time ◽  
Large Area ◽  
Nickel Metal ◽  
Time Resolved

The application of a large-area (41 × 41 cm, 2048 × 2048 or 1024 × 1024 pixel) high-sensitivity (detective quantum efficiency > 65%) fast-readout (up to 7.5 or 30 Hz) flat-panel detector based on an amorphous silicon array system to the collection of high-energy X-ray scattering data for quantitative pair distribution function (PDF) analysis is evaluated and discussed. Data were collected over a range of exposure times (0.13 s–7 min) for benchmark PDF samples: crystalline nickel metal and amorphous silica (SiO2). The high real-space resolution of the resultant PDFs (withQmaxup to ∼40 Å−1) and the high quality of fits to data [RNi(0.13s)= 10.5%,RNi(1.3s)= 6.3%] obtained in short measurement times indicate that this detector is well suited to studies of materials disorder. Further applications of the detector to locate weakly scattering H2molecules within the porous Prussian blue system, {\rm Mn}^{\rm II}_{\,3}[CoIII(CN)6]2·xH2, and to follow thein situreduction of PtIVO2to Pt0at 30 Hz, confirm the high sensitivity of the detector and demonstrate a new potential for fast time-resolved studies.

Observation of Liquid Phase Synthesis of Sulfide Solid Electrolytes Using Time‐Resolved Pair Distribution Function Analysis

2020 ◽  
Vol 257 (11) ◽  
pp. 2000106
Author(s):  
Koji Ohara ◽  
Naoya Masuda ◽  
Hiroshi Yamaguchi ◽  
Atsushi Yao ◽  
Satoshi Tominaka ◽  
...  
Keyword(s):  
Distribution Function ◽  
Liquid Phase ◽  
Solid Electrolytes ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Time Resolved ◽  
Phase Synthesis

In-situ Pair Distribution Function Study of the Growth of Supported Platinum Particles in Zeolite X

2014 ◽  
Vol 1712 ◽  
Author(s):  
Liliana M. Gámez ◽  
Oscar Resto ◽  
Maria M. Martinez-Inesta
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
High Energy ◽  
X Ray Diffraction ◽  
Zeolite X ◽  
Time Resolved ◽  
Supported Platinum ◽  
Platinum Particles ◽  
Dehydrogenation Reactions

ABSTRACTPlatinum particles supported in zeolites are used as catalysts for hydrogenation/ dehydrogenation reactions. In this study in situ high energy synchrotron X-ray diffraction was used to study the Pt particle formation under calcination and reduction conditions using time resolved pair distribution function (PDF). Because these particles grow inside the pores of zeolite X, PDF is able to give insight to unique information at the short and medium interatomic distance range that cannot be readily obtained with other techniques. Among the information obtained are the Pt atom interactions during calcination and the evolvement of the Pt particle sizes and average Pt-Pt distances during reduction.

scholarly journals Observation of Liquid Phase Synthesis of Sulfide Solid Electrolytes Using Time‐Resolved Pair Distribution Function Analysis

2020 ◽  
Vol 257 (11) ◽  
pp. 2070041
Author(s):  
Koji Ohara ◽  
Naoya Masuda ◽  
Hiroshi Yamaguchi ◽  
Atsushi Yao ◽  
Satoshi Tominaka ◽  
...  
Keyword(s):  
Distribution Function ◽  
Liquid Phase ◽  
Solid Electrolytes ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Time Resolved ◽  
Phase Synthesis

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.

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