Literature DB >> 31030657

The rise of the X-ray atomic pair distribution function method: a series of fortunate events.

Simon J L Billinge1,2.   

Abstract

The atomic pair distribution function (PDF) technique is a powerful approach to gain quantitative insight into the structure of materials where the structural coherence extends only over a few nanometres. In this paper, I focus on PDF from synchrotron X-rays and describe what is the PDF and where it came from, as well as key moments on the journey that have contributed to its enormous recent growth and expanding impact in materials science today. Synchrotron X-ray sources played a starring role in this story. This article is part of the theme issue 'Fifty years of synchrotron science: achievements and opportunities'.

Entities:  

Keywords:  X-ray; pair distribution function; synchrotron

Year:  2019        PMID: 31030657      PMCID: PMC6501893          DOI: 10.1098/rsta.2018.0413

Source DB:  PubMed          Journal:  Philos Trans A Math Phys Eng Sci        ISSN: 1364-503X            Impact factor:   4.226


  29 in total

1.  Direct Observation of Lattice Polaron Formation in the Local Structure of La1-xCaxMnO3.

Authors: 
Journal:  Phys Rev Lett       Date:  1996-07-22       Impact factor: 9.161

2.  Beyond crystallography: the study of disorder, nanocrystallinity and crystallographically challenged materials with pair distribution functions.

Authors:  Simon J L Billinge; M G Kanatzidis
Journal:  Chem Commun (Camb)       Date:  2004-03-02       Impact factor: 6.222

3.  Differential anomalous-x-ray-scattering study of icosahedral and amorphous Pd58.8U20.6Si20.6.

Authors: 
Journal:  Phys Rev Lett       Date:  1986-07-07       Impact factor: 9.161

4.  Atomic-resolution imaging of close-packed metal surfaces by scanning tunneling microscopy.

Authors: 
Journal:  Phys Rev Lett       Date:  1989-01-02       Impact factor: 9.161

5.  Structure determination of disordered materials from diffraction data.

Authors:  Matthew J Cliffe; Martin T Dove; D A Drabold; Andrew L Goodwin
Journal:  Phys Rev Lett       Date:  2010-03-22       Impact factor: 9.161

6.  Ab initio determination of solid-state nanostructure.

Authors:  P Juhás; D M Cherba; P M Duxbury; W F Punch; S J L Billinge
Journal:  Nature       Date:  2006-03-30       Impact factor: 49.962

7.  The problem with determining atomic structure at the nanoscale.

Authors:  Simon J L Billinge; Igor Levin
Journal:  Science       Date:  2007-04-27       Impact factor: 47.728

8.  Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles.

Authors:  Christopher L Farrow; Simon J L Billinge
Journal:  Acta Crystallogr A       Date:  2009-04-02       Impact factor: 2.290

9.  Free-standing graphene at atomic resolution.

Authors:  Mhairi H Gass; Ursel Bangert; Andrew L Bleloch; Peng Wang; Rahul R Nair; A K Geim
Journal:  Nat Nanotechnol       Date:  2008-09-28       Impact factor: 39.213

10.  Atomic resolution of the silicon (111)-(7x7) surface by atomic force microscopy.

Authors:  F J Giessibl
Journal:  Science       Date:  1995-01-06       Impact factor: 47.728

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  12 in total

1.  Ambiguous structure determination from powder data: four different structural models of 4,11-di-fluoro-quinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D.

Authors:  Carina Schlesinger; Arnd Fitterer; Christian Buchsbaum; Stefan Habermehl; Michele R Chierotti; Carlo Nervi; Martin U Schmidt
Journal:  IUCrJ       Date:  2022-05-14       Impact factor: 5.588

2.  Multivariate analysis of disorder in metal-organic frameworks.

Authors:  Adam F Sapnik; Irene Bechis; Alice M Bumstead; Timothy Johnson; Philip A Chater; David A Keen; Kim E Jelfs; Thomas D Bennett
Journal:  Nat Commun       Date:  2022-04-21       Impact factor: 17.694

3.  Comparison and evaluation of pair distribution functions, using a similarity measure based on cross-correlation functions.

Authors:  Stefan Habermehl; Carina Schlesinger; Dragica Prill
Journal:  J Appl Crystallogr       Date:  2021-03-31       Impact factor: 4.868

Review 4.  Probing Multiscale Disorder in Pyrochlore and Related Complex Oxides in the Transmission Electron Microscope: A Review.

Authors:  Jenna L Wardini; Hasti Vahidi; Huiming Guo; William J Bowman
Journal:  Front Chem       Date:  2021-11-29       Impact factor: 5.221

5.  Cryogenic 4D-STEM analysis of an amorphous-crystalline polymer blend: Combined nanocrystalline and amorphous phase mapping.

Authors:  Jennifer Donohue; Steven E Zeltmann; Karen C Bustillo; Benjamin Savitzky; Mary Ann Jones; Gregory F Meyers; Colin Ophus; Andrew M Minor
Journal:  iScience       Date:  2022-02-05

6.  Circumventing a challenging aspect of crystal structure determination from powder diffraction data.

Authors:  Kenneth D M Harris
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2022-04-01

7.  The Role of Energy Scales for the Structure of Ionic Liquids at Electrified Interfaces: A Theory-Based Approach.

Authors:  Max Schammer; Arnulf Latz; Birger Horstmann
Journal:  J Phys Chem B       Date:  2022-04-01       Impact factor: 3.466

8.  Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions.

Authors:  Stefan Habermehl; Carina Schlesinger; Martin U Schmidt
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2022-03-16

9.  Synthesis, local structure and optical property studies of α-SnS microrods by synchrotron X-ray pair distribution function and micro-Raman shift.

Authors:  U P Gawai; D K Gaikwad; S L Patil; K K Pandey; N P Lalla; B N Dole
Journal:  RSC Adv       Date:  2020-06-03       Impact factor: 3.361

10.  ID15A at the ESRF - a beamline for high speed operando X-ray diffraction, diffraction tomography and total scattering.

Authors:  Gavin B M Vaughan; Robert Baker; Raymond Barret; Julien Bonnefoy; Thomas Buslaps; Stefano Checchia; Denis Duran; Francois Fihman; Pierrick Got; Jerôme Kieffer; Simon A J Kimber; Keith Martel; Christian Morawe; Denis Mottin; Emanuel Papillon; Sébastien Petitdemange; Antonios Vamvakeros; Jean Phillipe Vieux; Marco Di Michiel
Journal:  J Synchrotron Radiat       Date:  2020-01-28       Impact factor: 2.616

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