scholarly journals Lattice dynamics and correlated atomic motion from the atomic pair distribution function

2003 ◽  
Vol 67 (10) ◽  
Author(s):  
I.-K. Jeong ◽  
R. H. Heffner ◽  
M. J. Graf ◽  
S. J. L. Billinge
Keyword(s):  
Distribution Function ◽  
Lattice Dynamics ◽  
Pair Distribution Function ◽  
Atomic Motion ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair

scholarly journals Atomic pair distribution function analysis of materials containing crystalline and amorphous phases

2005 ◽  
Vol 220 (12/2005) ◽  
Author(s):  
Thomas Proffen ◽  
Katharine L. Page ◽  
Sylvia E. McLain ◽  
Bjørn Clausen ◽  
Timothy W. Darling ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Amorphous Phases ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair

scholarly journals Nyquist-Shannon sampling theorem applied to refinements of the atomic pair distribution function

2011 ◽  
Vol 84 (13) ◽  
Author(s):  
Christopher L. Farrow ◽  
Margaret Shaw ◽  
Hyunjeong Kim ◽  
Pavol Juhás ◽  
Simon J. L. Billinge
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Sampling Theorem ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair ◽  
Shannon Sampling Theorem

scholarly journals Structure determination of molecular nanocomposites by combining pair distribution function analysis and solid-state NMR

RSC Advances ◽  
2015 ◽  
Vol 5 (12) ◽  
pp. 8895-8902 ◽  
Author(s):  
E.-E. Bendeif ◽  
A. Gansmuller ◽  
K.-Y. Hsieh ◽  
S. Pillet ◽  
Th. Woike ◽  
...  
Keyword(s):  
Distribution Function ◽  
Solid State ◽  
Solid State Nmr ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Structural Characterisation ◽  
Atomic Pair Distribution Function ◽  
X Ray Scattering ◽  
Atomic Pair

Total X-ray scattering coupled to atomic pair distribution function analysis (PDF) and solid state NMR allowed the identification and structural characterisation of isolated molecules and nanocrystals of sodium nitroprusside confined in mesoporous silica.

scholarly journals Improved Models for Metallic Nanoparticle Cores from Atomic Pair Distribution Function (PDF) Analysis

2018 ◽  
Vol 122 (51) ◽  
pp. 29498-29506 ◽  
Author(s):  
Soham Banerjee ◽  
Chia-Hao Liu ◽  
Jennifer D. Lee ◽  
Anton Kovyakh ◽  
Viktoria Grasmik ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Metallic Nanoparticle ◽  
Atomic Pair Distribution Function ◽  
Atomic Pair ◽  
Pdf Analysis

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.

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