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

SJL Billinge - … Transactions of the Royal Society A, 2019 - royalsocietypublishing.org
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 …

Bridging structural inhomogeneity to functionality: pair distribution function methods for functional materials development

H Zhu, Y Huang, J Ren, B Zhang, Y Ke… - Advanced …, 2021 - Wiley Online Library
The correlation between structure and function lies at the heart of materials science and
engineering. Especially, modern functional materials usually contain inhomogeneities at an …

Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO2

T Koketsu, J Ma, BJ Morgan, M Body, C Legein… - Nature materials, 2017 - nature.com
In contrast to monovalent lithium or sodium ions, the reversible insertion of multivalent ions
such as Mg2+ and Al3+ into electrode materials remains an elusive goal. Here, we …

PDFgetX3: a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions

P Juhás, T Davis, CL Farrow… - Journal of applied …, 2013 - journals.iucr.org
PDFgetX3 is a new software application for converting X-ray powder diffraction data to an
atomic pair distribution function (PDF). PDFgetX3 has been designed for ease of use, speed …

Densified HKUST-1 monoliths as a route to high volumetric and gravimetric hydrogen storage capacity

DG Madden, D O'Nolan, N Rampal… - Journal of the …, 2022 - ACS Publications
We are currently witnessing the dawn of hydrogen (H2) economy, where H2 will soon
become a primary fuel for heating, transportation, and long-distance and long-term energy …

Capture of volatile iodine, a gaseous fission product, by zeolitic imidazolate framework-8

DF Sava, MA Rodriguez, KW Chapman… - Journal of the …, 2011 - ACS Publications
Here we present detailed structural evidence of captured molecular iodine (I2), a volatile
gaseous fission product, within the metal–organic framework ZIF-8 [zeolitic imidazolate …

Radioactive iodine capture in silver-containing mordenites through nanoscale silver iodide formation

KW Chapman, PJ Chupas… - Journal of the American …, 2010 - ACS Publications
The effective capture and storage of radiological iodine (129I) remains a strong concern for
safe nuclear waste storage and safe nuclear energy. Silver-containing mordenite (MOR) is a …

Tracking sodium-antimonide phase transformations in sodium-ion anodes: insights from operando pair distribution function analysis and solid-state NMR …

PK Allan, JM Griffin, A Darwiche… - Journal of the …, 2016 - ACS Publications
Operando pair distribution function (PDF) analysis and ex situ 23Na magic-angle spinning
solid-state nuclear magnetic resonance (MAS ssNMR) spectroscopy are used to gain insight …

The interplay of Al and Mg speciation in advanced Mg battery electrolyte solutions

KA See, KW Chapman, L Zhu… - Journal of the …, 2016 - ACS Publications
Mg batteries are an attractive alternative to Li-based energy storage due to the possibility of
higher volumetric capacities with the added advantage of using sustainable materials. A …

Silver-mordenite for radiologic gas capture from complex streams: Dual catalytic CH3I decomposition and I confinement

TM Nenoff, MA Rodriguez, NR Soelberg… - Microporous and …, 2014 - Elsevier
The selective capture of radiological iodine (129 I) is a persistent concern for safe nuclear
energy. In nuclear fuel reprocessing scenarios, the gas streams to be treated are extremely …