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X-ray absorption spectroscopy (XAS) is a powerful technique to probe the electronic and structural properties of materials. With the rapid growth in both the volume and complexity of XAS datasets driven by advancements in synchrotron…

Computational Physics · Physics 2025-02-25 Xue Han , Haodong Yao , Fei Zhan , Xueqi Song , Junfang Zhao , Haifeng Zhao

The electronic excitation occurring on adsorbates at ultrafast time scales from optical lasers that initiate surface chemical reactions is still an open question. Here, we report the ultrafast temporal evolution of X-ray absorption…

X-ray Absorption Spectroscopy (XAS) is a powerful technique for probing local atomic environments, yet its interpretation remains limited by the need for expert-driven analysis, computationally expensive simulations, and element-specific…

Machine Learning · Computer Science 2025-08-27 Yufeng Wang , Peiyao Wang , Lu Wei , Lu Ma , Yuewei Lin , Qun Liu , Haibin Ling

In this work we present an interpretation of experimental O K-edge x-ray absorption near edge structure (XANES) in perovskite-type WO3 and AWO3 compounds (A = H and Na) using three different first principles approaches: (i)…

Materials Science · Physics 2010-09-01 Dmitry Bocharov , Alexei Kuzmin , Juris Purans , Yuri Zhukovskii

X-ray Absorption Near Edge Structure [XANES] of FePt nanoclusters has been studied using a full multiple scattering, self-consistent field [SCF], real-space Green`s function approach realized via the powerful ab initio FEFF8 code. One…

Materials Science · Physics 2009-11-10 Sher Alam , J. Ahmed , Y. Matsui

Using a recently developed impurity solver we exemplify how dynamical mean field theory captures band excitations, resonances, edge singularities and excitons in core level x-ray absorption (XAS) and core level photo electron spectroscopy…

Strongly Correlated Electrons · Physics 2015-06-23 M. W. Haverkort , G. Sangiovanni , P. Hansmann , A. Toschi , Y. Lu , S. Macke

Resonant X-ray scattering (RXS) is a spectroscopy where both the power of site selective diffraction and the power of local absorption spectroscopy regarding atomic species are combined. By virtue of the dependence on the core level state…

Materials Science · Physics 2007-11-12 Yves Joly , Elena S. Nazarenko , José-Emilio Lorenzo , Sergio Di Matteo , Calogero R. Natoli

The present manuscript considers the application of the method of the near-edge X-ray absorption spectroscopy (NEXAFS) for the investigation of the graphene-based systems (from free-standing graphene to the metal-intercalation-like…

Materials Science · Physics 2013-04-19 E. N. Voloshina , R. E. Ovcharenko , A. S. Shulakov , Yu. S. Dedkov

Laser absorption spectroscopy (LAS) is a well-established technique for non-intrusive measurement of gas species in combustion and atmospheric environments, but conventional methods struggle with multi-species mixtures under dynamic or…

Optics · Physics 2026-05-05 Mohamed Sy

The sorption of radionuclides by graphene oxides synthesized by different methods was studied through a combination of batch experiments with characterization by microscopic and spectroscopic techniques such as X-ray photoelectron…

X-ray absorption spectroscopy (XAS) is a powerful experimental tool to probe the local structure in materials with the core hole excitations. Here, the oxygen K-edge XAS spectra of the NaCl solution and pure water are computed by using a…

Materials Science · Physics 2023-11-03 Fujie Tang , Kefeng Shi , Xifan Wu

In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for x-ray absorption spectroscopy (XAS) analysis. Compared to traditional XAS analysis methods, AI/ML approaches…

Many real-world scenarios involving streaming information can be represented as temporal graphs, where data flows through dynamic changes in edges over time. Anomaly detection in this context has the objective of identifying unusual…

Machine Learning · Computer Science 2025-12-01 Simone Mungari , Albert Bifet , Giuseppe Manco , Bernhard Pfahringer

Superconducting transition-edge sensors (TESs) carried by X-ray telescopes are powerful tools for the study of neutron stars and black holes. Several methods, such as optimal filtering or principal component analysis, have already been…

Instrumentation and Methods for Astrophysics · Physics 2021-04-12 Paul Ripoche , Jeremy Heyl

The local structure and chemical bonding in two-phase amorphous Cr$_{1-x}$C$_{x}$ nanocomposite thin films are investigated by Cr $K$-edge ($1s$) X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure…

Materials Science · Physics 2016-11-28 Weine Olovsson , Björn Alling , Martin Magnuson

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

X-ray spectroscopy offers an opportunity to study the complex mixture of emitting and absorbing components in the circumnuclear regions of active galactic nuclei, and to learn about the accretion process that fuels AGN and the feedback of…

High Energy Astrophysical Phenomena · Physics 2009-11-13 T. J. Turner , L. Miller

The measurement of shifts in the energy of X-ray emission lines is important for understanding the electronic structure and physical properties of materials. In this study, we demonstrate a method using a synchrotron source to introduce…

Instrumentation and Detectors · Physics 2025-02-19 Tejas Guruswamy , Orlando Quaranta , Lisa Gades , Umeshkumar Patel , Antonino Miceli

Angle-resolved photoemission spectroscopy (ARPES) is a powerful experimental technique to determine the electronic structure of solids. Advances in light sources for ARPES experiments are currently leading to a vast increase of data…