[PDF][PDF] EXAFS and XANES analysis of oxides at the nanoscale

A Kuzmin, J Chaboy - IUCrJ, 2014 - journals.iucr.org
Worldwide research activity at the nanoscale is triggering the appearance of new, and
frequently surprising, materials properties in which the increasing importance of surface and …

EXAFS for liquids

A Filipponi - Journal of Physics: Condensed Matter, 2001 - iopscience.iop.org
Extended x-ray absorption fine structure (EXAFS) spectroscopy exploits the quantum
interference resulting from the scattering of a photoelectron, generated by the excitation of a …

X-ray-absorption spectroscopy and n-body distribution functions in condensed matter. II. Data analysis and applications

A Filipponi, A Di Cicco - Physical Review B, 1995 - APS
The practical and theoretical aspects of the GNXAS method for multiple-scattering extended
x-ray-absorption fine-structure (EXAFS) data analysis are treated in a comprehensive …

Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. I:  The Perspective on Local Structure from EXAFS and XANES

JL Fulton, SM Heald, YS Badyal… - The Journal of Physical …, 2003 - ACS Publications
X-ray absorption fine structure (XAFS) spectroscopy was used to probe the effects of
concentration on the first-shell structure of Ca2+ in aqueous solution. Measurements were …

Hydrogen and Higher Shell Contributions in Zn2+, Ni2+, and Co2+ Aqueous Solutions:  An X-ray Absorption Fine Structure and Molecular Dynamics Study

P D'Angelo, V Barone, G Chillemi… - Journal of the …, 2002 - ACS Publications
A detailed investigation of the hydration structure of Zn2+, Ni2+, and Co2+ in water solutions
has been carried out combining X-ray absorption fine structure (EXAFS) spectroscopy and …

[HTML][HTML] Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy

FG Santomauro, J Grilj, L Mewes, G Nedelcu… - Structural …, 2017 - pubs.aip.org
We report on an element-selective study of the fate of charge carriers in photoexcited
inorganic CsPbBr 3 and CsPb (ClBr) 3 perovskite nanocrystals in toluene solutions using …

Molecular Simulation Analysis and X-ray Absorption Measurement of Ca2+, K+ and Cl- Ions in Solution

LX Dang, GK Schenter, VA Glezakou… - The Journal of Physical …, 2006 - ACS Publications
This paper presents recent advances in the use of molecular simulations and extended X-
ray absorption fine structure (EXAFS) spectroscopy, which enable us to understand solvated …

Direct modeling of EXAFS spectra from molecular dynamics simulations

BJ Palmer, DM Pfund, JL Fulton - The Journal of Physical …, 1996 - ACS Publications
A method for generating extended X-ray absorption fine-structure (EXAFS) spectra directly
from molecular dynamics trajectories is described. Conventional molecular dynamics …

Short-range order in crystalline, amorphous, liquid, and supercooled germanium probed by x-ray-absorption spectroscopy

A Filipponi, A Di Cicco - Physical review B, 1995 - APS
A detailed experimental investigation of the short-range structural properties in condensed
phases of germanium is presented. X-ray-absorption measurements at the Ge K edge have …

Revisiting the extended x-ray absorption fine structure fitting procedure through a machine learning-based approach

A Martini, AL Bugaev, SA Guda, AA Guda… - The Journal of …, 2021 - ACS Publications
A novel approach for the analysis of extended X-ray absorption fine structure (EXAFS)
spectra is developed exploiting an inverse machine learning-based algorithm. Through this …