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 …

Far-from-equilibrium effects of electric and electromagnetic fields in ceramics synthesis and processing

B Reeja-Jayan, J Luo - MRS Bulletin, 2021 - Springer
Electric and electromagnetic fields can promote far-from-equilibrium chemical reactions,
phase transformations, and microstructural evolution. On the one hand, both direct electric …

Boosting hydrogen production via urea electrolysis on an amorphous nickel phosphide/graphene hybrid structure

Y Tong, L Chen, PJ Dyson, Z Fei - Journal of Materials Science, 2021 - Springer
Overall urea electrolysis has favorable thermodynamic properties and can complement
traditional water splitting by simultaneously purifying urea-rich waste streams. However, the …

Towards quantitative treatment of electron pair distribution function

TE Gorelik, R Neder, MW Terban, Z Lee… - … Section B: Structural …, 2019 - journals.iucr.org
The pair distribution function (PDF) is a versatile tool to describe the structure of disordered
and amorphous materials. Electron PDF (ePDF) uses the advantage of strong scattering of …

The effects of external fields in ceramic sintering

SK Jha, XL Phuah, J Luo… - Journal of the …, 2019 - Wiley Online Library
Field‐assisted processing techniques can enhance the kinetics of powder synthesis,
accelerate sintering processes, and drive phase transformations at significantly lower …

[PDF][PDF] Local atomic structure of thin and ultrathin films via rapid high-energy X-ray total scattering at grazing incidence

AC Dippel, M Roelsgaard, U Boettger, T Schneller… - IUCrJ, 2019 - journals.iucr.org
Atomic pair distribution function (PDF) analysis is the most powerful technique to study the
structure of condensed matter on the length scale from short-to long-range order. Today, the …

Pair distribution function analysis driven by atomistic simulations: Application to microwave radiation synthesized TiO2 and ZrO2

S Zhang, J Gong, DZ Xiao, BR Jayan… - Computational Materials …, 2023 - Elsevier
A workflow is presented for performing pair distribution function (PDF) analysis of defected
materials using structures generated from atomistic simulations. A large collection of …

[PDF][PDF] Time-resolved grazing-incidence pair distribution functions during deposition by radio-frequency magnetron sputtering

M Roelsgaard, AC Dippel, KA Borup, IG Nielsen… - IUCrJ, 2019 - journals.iucr.org
Characterization of local order in thin films is challenging with pair distribution function (PDF)
analysis because of the minute mass of the scattering material. Here, it is demonstrated that …

Non-equilibrium microstructure of Li1. 4Al0. 4Ti1. 6 (PO4) 3 superionic conductor by spark plasma sintering for enhanced ionic conductivity

S Duan, H Jin, J Yu, EN Esfahani, B Yang, J Liu, Y Ren… - Nano Energy, 2018 - Elsevier
In solid-state electrolytes, the large resistance at grain boundaries remains the bottleneck for
high ionic conductivity. Here we develop an alternative and somewhat counterintuitive …

Quantitative Structural Characterization of Catalytically Active TiO2 Nanoparticles

S Banerjee, A Zangiabadi… - ACS Applied Nano …, 2019 - ACS Publications
This work uses multiple characterization techniques to show conclusively that the pyrogenic
TiO2 photocatalysts, P90 and P25, are made of discrete rutile and anatase nanoparticles …