Structural analysis of molecular materials using the pair distribution function

MW Terban, SJL Billinge - Chemical Reviews, 2021 - ACS Publications
This is a review of atomic pair distribution function (PDF) analysis as applied to the study of
molecular materials. The PDF method is a powerful approach to study short-and …

Reactivity of surface species in heterogeneous catalysts probed by in situ X-ray absorption techniques

S Bordiga, E Groppo, G Agostini… - Chemical …, 2013 - ACS Publications
Starting from the late seventies, the progressively increased availability of synchrotron light
sources allowed the execution of experiments requiring a high X-ray flux in a continuous …

Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

AF Wallace, LO Hedges, A Fernandez-Martinez… - Science, 2013 - science.org
Recent experimental observations of the onset of calcium carbonate (CaCO3) mineralization
suggest the emergence of a population of clusters that are stable rather than unstable as …

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals

CL Farrow, P Juhas, JW Liu, D Bryndin… - Journal of Physics …, 2007 - iopscience.iop.org
PDFfit2 is a program as well as a library for real-space refinement of crystal structures. It is
capable of fitting a theoretical three-dimensional (3D) structure to atomic pair distribution …

Nanostructured oxides in chemistry: characterization and properties

M Fernandez-Garcia, A Martinez-Arias… - Chemical …, 2004 - ACS Publications
Metal oxides play a very important role in many areas of chemistry, physics, and materials
science. 1-5 The metal elements are able to form a large diversity of oxide compounds. 6 …

The problem with determining atomic structure at the nanoscale

SJL Billinge, I Levin - science, 2007 - science.org
Emerging complex functional materials often have atomic order limited to the nanoscale.
Examples include nanoparticles, species encapsulated in mesoporous hosts, and bulk …

Rapid-acquisition pair distribution function (RA-PDF) analysis

PJ Chupas, X Qiu, JC Hanson, PL Lee… - Journal of Applied …, 2003 - journals.iucr.org
An image-plate (IP) detector coupled with high-energy synchrotron radiation was used for
atomic pair distribution function (PDF) analysis, with high probed momentum transfer …

A novel P3-type Na 2/3 Mg 1/3 Mn 2/3 O 2 as high capacity sodium-ion cathode using reversible oxygen redox

B Song, E Hu, J Liu, Y Zhang, XQ Yang… - Journal of Materials …, 2019 - pubs.rsc.org
There is great interest in the discovery of Li/Na-ion cathode materials with capacity
exceeding the limitation of conventional intercalation-based oxide cathodes. One plausible …

Understanding the Low-Voltage Hysteresis of Anionic Redox in Na2Mn3O7

B Song, M Tang, E Hu, OJ Borkiewicz… - Chemistry of …, 2019 - ACS Publications
The large-voltage hysteresis remains one of the biggest barriers to optimizing Li/Na-ion
cathodes using lattice anionic redox reaction, despite their very high energy density and …

PDFFIT, a program for full profile structural refinement of the atomic pair distribution function

T Proffen, SJL Billinge - Journal of Applied Crystallography, 1999 - scripts.iucr.org
The program PDFFIT is designed for the full profile structural refinement of the atomic pair
distribution function (PDF). In contrast to conventional structure refinement based on Bragg …