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 …

Small angle X-ray scattering for nanoparticle research

T Li, AJ Senesi, B Lee - Chemical reviews, 2016 - ACS Publications
X-ray scattering is a structural characterization tool that has impacted diverse fields of study.
It is unique in its ability to examine materials in real time and under realistic sample …

Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems

P Juhás, C Farrow, X Yang, K Knox… - … Section A: Foundations …, 2015 - journals.iucr.org
A strategy is described for regularizing ill posed structure and nanostructure scattering
inverse problems (ie structure solution) from complex material structures. This paper …

Atomic electron tomography: 3D structures without crystals

J Miao, P Ercius, SJL Billinge - Science, 2016 - science.org
BACKGROUND To understand material properties and functionality at the most fundamental
level, one must know the three-dimensional (3D) positions of atoms with high precision. For …

There's no place like real-space: elucidating size-dependent atomic structure of nanomaterials using pair distribution function analysis

TL Christiansen, SR Cooper, KMØ Jensen - Nanoscale Advances, 2020 - pubs.rsc.org
The development of new functional materials builds on an understanding of the intricate
relationship between material structure and properties, and structural characterization is a …

Spatiotemporal Studies of Soluble Inorganic Nanostructures with X‐rays and Neutrons

JF Yin, L Amidani, J Chen, M Li, B Xue… - Angewandte Chemie …, 2024 - Wiley Online Library
This Review addresses the use of X‐ray and neutron scattering as well as X‐ray absorption
to describe how inorganic nanostructured materials assemble, evolve, and function in …

Structural Changes during the Growth of Atomically Precise Metal Oxido Nanoclusters from Combined Pair Distribution Function and Small‐Angle X‐ray Scattering …

AS Anker, TL Christiansen, M Weber… - Angewandte Chemie …, 2021 - Wiley Online Library
The combination of in situ pair distribution function (PDF) analysis and small‐angle X‐ray
scattering (SAXS) enables analysis of the formation mechanism of metal oxido nanoclusters …

Improved models for metallic nanoparticle cores from atomic pair distribution function (PDF) analysis

S Banerjee, CH Liu, JD Lee, A Kovyakh… - The Journal of …, 2018 - ACS Publications
X-ray atomic pair distribution functions (PDFs) were collected from a range of canonical
metallic nanomaterials, both elemental and alloyed, prepared using different synthesis …

Size-dependent fault-driven relaxation and faceting in zincblende CdSe colloidal quantum dots

D Moscheni, F Bertolotti, L Piveteau, L Protesescu… - ACS …, 2018 - ACS Publications
Surface chemistry and core defects are known to play a prominent role in governing the
photophysical properties of nanocrystalline semiconductors. Nevertheless, investigating …

[PDF][PDF] POMFinder: identifying polyoxometallate cluster structures from pair distribution function data using explainable machine learning

AS Anker, ETS Kjær, M Juelsholt… - Journal of Applied …, 2024 - journals.iucr.org
Characterization of a material structure with pair distribution function (PDF) analysis typically
involves refining a structure model against an experimental data set, but finding or …