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X-ray absorption fine structure (XAFS) and x-ray emission spectroscopy (XES) are advanced x-ray spectroscopies that impact a wide range of disciplines. However, unlike the majority of other spectroscopic methods, XAFS and XES are…

Widely employed Near-Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy probes a system by excitation of core electrons to unoccupied states. A variety of different methodologies are available to simulate corresponding spectra from…

Chemical Physics · Physics 2019-02-14 Georg S. Michelitsch , Karsten Reuter

We present a comprehensive computational framework for reproducing the full X-ray absorption fine structure (XAFS) through quantum-chemical simulations. The near-edge region is accurately captured using an efficient implementation of…

Materials Science · Physics 2025-12-04 Philipp Hönicke , Yves Kayser , Pouya Partovi-Azar

We report on the near edge X-ray absorption fine structure (NEXAFS) spectroscopy of hybrid organic-inorganic resists. These materials are nonchemically amplified systems based on Si, Zr, and Ti oxides, synthesized from organically modified…

Phase transitions of solids and structural transformations of molecules are canonical examples of important photo-induced processes, whose underlying mechanisms largely elude our comprehension due to our inability to correlate electronic…

Oscillatory structure is found in the atomic background absorption in x-ray-absorption fine structure (XAFS). This atomic-XAFS or AXAFS arises from scattering within an embedded atom, and is analogous to the Ramsauer-Townsend effect.…

Condensed Matter · Physics 2009-10-22 J. J. Rehr , C. H. Booth , F. Bridges , S. I. Zabinsky

We have recently demonstrated a very favorable, inexpensive modernization of lab-based x-ray absorption fine structure (XAFS) and high-resolution x-ray emission spectroscopy (XES) using only commercially-available optics and x-ray tube…

Instrumentation and Detectors · Physics 2016-06-22 Gerald T. Seidler , Devon R. Mortensen , Alexander S. Ditter , Neil A. Ball , Adam J. Remesnik

This essay sketches the development of X-ray Absorption Fine Spectroscopy (XAFS) ever since the second half of 20th century. At that time, synchrotrons started competing with X-ray discharge tubes as the sources of the excitation able to…

Materials Science · Physics 2013-12-19 Annibale Mottana , Augusto Marcelli

Extended x-ray absorption fine-structure (EXAFS) data collected in the fluorescence mode are susceptible to an apparent amplitude reduction due to the self-absorption of the fluorescing photon by the sample before it reaches a detector.…

Condensed Matter · Physics 2007-05-23 C. H. Booth , F. Bridges

Resonant Inelastic X-ray Scattering (RIXS) in the soft x-ray range is an element-specific energy-loss spectroscopy used to probe the electronic and magnetic excitations in strongly correlated solids. In the recent years, RIXS has been…

Laser-driven compact particle accelerators can provide ultrashort pulses of broadband X-rays, well suited for undertaking X-ray absorption spectroscopy measurements on a femtosecond timescale. Here the Extended X-ray Absorption Fine…

We have developed a polarized hard X-ray photoemission (HAXPES) system to study the ground-state symmetry of strongly correlated materials. The linear polarization of the incoming X-ray beam is switched by the transmission-type phase…

The increasing popularity of time-resolved X-ray absorption measurements for understanding dynamics in molecular and material systems has led to many advances in table-top sources for pulsed X-rays. We report on a table top laser-produced…

Instrumentation and Detectors · Physics 2024-09-16 Danika Nimlos , Alejandro Arellano , Scott Kevin Cushing

Resonant (elastic) soft x-ray scattering (RSXS) offers a unique element, site, and valence specific probe to study spatial modulations of charge, spin, and orbital degrees of freedom in solids on the nanoscopic length scale. It cannot only…

Materials Science · Physics 2013-04-12 J. Fink , E. Schierle , E. Weschke , J. Geck

Angular x-ray cross-correlation analysis (AXCCA) is a technique which allows quantitative measurement of the angular anisotropy of x-ray diffraction patterns and provides insights into the orientational order in the system under…

Three independent techniques are used to separate fine structure from the absorption spectra, the background function in which is approximated by (i) smoothing spline. We propose a new reliable criterion for determination of smoothing…

Data Analysis, Statistics and Probability · Physics 2009-11-06 K. V. Klementev

X-ray photoemission (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy play an important role in investigating the structure and electronic structure of materials and surfaces. Ab-initio simulations provide crucial…

Materials Science · Physics 2020-10-21 Benedikt Klein , Samuel J. Hall , Reinhard J. Maurer

A novel method and experimental configuration are proposed that allow the collection of high-quality X-ray absorption spectroscopy (XAS) data in transmission mode on a standard laboratory diffractometer. This configuration makes use of…

Instrumentation and Detectors · Physics 2025-09-23 Milen Gateshki , Charalampos Zarkadas , Detlef Beckers

A gas cell for in-situ measurements of Volatile Organic Compounds (VOCs) and their adsorption behavior on different surfaces by means of X-Ray Fluorescence (XRF) and X-ray Absorption Fine-Structure (XAFS) spectroscopy has been developed.…

Organic chromophores with heteroatoms possess an important excited state relaxation channel from an optically allowed {\pi}{\pi}* to a dark n{\pi}*state. We exploit the element and site specificity of soft x-ray absorption spectroscopy to…

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