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X-ray spectroscopy

This course is part of the programme
Physics and atrophysics II. level

Objectives and competences

Main goal of the course is to gain knowledge to understand and use different x-ray methods for characterisation of atomic and molecular structure of materials. Students can choose adequate experimental methods for structural characterisation actively participate at experiments and critically evaluate the obtained results of the analysis.

Prerequisites

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Content

• Source of X-rays (classic and synchrotron radiation)
• Interaction of x-rays with matter (photoeffect, Compton effect, elastic scattering, Auger effect)
• Detectors for X-rays
• Optical elements for X-rays (mirrors, monochromators, (micro)focusing elements)
• X-ray diffraction
• X-ray fluorescence
• X-ray absorption spectroscopy
• Introduction to analysis of atomic and molecular structure with x-ray spectroscopic methods.
• Micro-spectroscopy (combination of XAS and micro focusing of SR X-ray beam) and 2D elemental mapping with sub-micron resolution.
• In-situ in in-operando spectroscopic techniques with X-rays

Intended learning outcomes

Knowledge and understanding:

  • Students learn the principles of interaction of X- rays with matter.
  • They gain knowledge about characteristics of most important X-ray sources (x-ray tubes, synchrotron radiation sources).
  • They understand the operation of main optical elements and detectors for X-rays.
  • They understand the principles of X-ray diffraction (XRD), X-ray fluorescence and X-ray absorption spectroscopy, know the necessary experimental equipment, and understand basic methods for analysis and interpretation of measured spectra, and understand what kind of structural information about the investigated material can be obtained by individual spectroscopic methods.

Readings

  • I. Arčon, Tutorials, videolectures, slides and student projects on X-ray spectroscopies techniques in the MiTeam e-classroom: https://mitv.ung.si/
  • Openly licensed textbooks at OpenStax, Rice University, Huston Texas, USA: https://openstax.org/subjects/science
  • University Physics: Volume 3. E-version
  • G. Bunker, "Introduction to XAFS: A Practical Guide to X-ray Absorption Fine Structure Spectroscopy", Cambridge University Press, 2010. Catalogue
  • Y. Iwasawa, K. Asakura, M. Tada, XAFS Techniques for catalysts, Nanomaterials, and Surfaces, Springer (2017). Catalogue
  • X-ray absorption spectroscopy (principles, applications, techniques of EXAFS, SEXAFS and XANES), edited by D.C. Konnigsberger and R. Prins, John Wiley and Sons, NY (1988).
  • F. Cvelbar, Merjenje ionizirajočega sevanja, DMFA – založništvo, Ljubljana 2003. Catalogue
  • D. A. Skoog, F. J. Holler, T. A. Nieman, Principles of Instrumental analysis, Saunders Colege Publishing, Philadelpia, 1998. Catalogue
  • W. H. Press, B. P. Flannery, S. A. Teukolsky, W. T. Vettering, Numerical Recipes, Cambridge University press, Cambridge, 1986. Catalogue
  • S. L. Meyer, Data analysis for scientists and engineers, J. Wiley and Sons (1975) Catalogue
  • I. Arčon, Introduction to XANES and EXAFS analysis. Nova Gorica: [I. Arčon], 2008. Catalogue
  • Katarina Vogel-Mikuš, Iztok Arčon, Peter Kump, Primož Pelicon, Marijan Nečemer, Primož Vavpetič, Špela Koren, Marjana Regvar, Analytical tools for exploring metal accumulation and tolerance in plants. Phytotechnologies : remediation of environmental contaminants. Boca Raton (FL): Taylor & Francis (2013) 443-495. E-version
  • B. Beckhoff, B. Kanngiesser, N. Langhoff R. Wedell H. Wolff, Handbook of Practical X-Ray Fluorescence Analysis, Springer-Verlag Berlin Heidelberg 2006, ISBN-10 3-540-28603-9 Springer Berlin, Heidelberg. E-version
  • Larch software and documentation (freeware XAS analysis software). E-version

Assessment

Homeworks and final oral exam.
During the course student prepares reports on the results of the analysis of XAS spectra in a written form and defends it orally in an open discussion with professor and students.

Lecturer's references

Prof. dr. Iztok Arčon is full professor for the field of physics, employed at the University of Nova Gorica, Laboratory for quantum optics, holding a position of the dean of Grauate school. His main research field is analysis of atomic and molecular structure of new functional materials (different catalysts and photocatalysts, cathode materials for Li-ion, Li-sulphur and Mg-sulphur batteries, ferroelectric and
ferromagnetic ceramics, …) and analysis of environmental pollution (soil, water and plants), with X-ray absorption spectroscopy with synchrotron radiation (methods XANES, EXAFS), In addition, he uses synchrotron radiation for experimental study of multielectron photoexcitations in free and bound atoms, to provide information on collective motion of electrons in the atomic system, and exact atomic absorption background in EXAFS spectra. He obtained with coworkers over sixty research projects at different European synchrotron radiation laboratories (PETRA III at DESY, Hamburg; Elettra, Trieste; ESRF, Grenoble; Alba in Barcelona; Soleil, and previously Lure, Paris), and performed experiments with advanced sychrotron radiation techniques. Until 2025 he published more than 220 scientific papers in reviews with high impact factor and his work is highly cited (over 3500 citations). His Hirsch index is 30.
He received The Jožef Stefan Golden Emblem Prize Award in 1996 for his PhD thesis research work. In 2006 he was awarded the national “Zois award” for outstanding achievements in the field of X-ray absorption spectroscopy, and in 2020 he received Pregl Award of the National institute of Chemistry for Exceptional Achievements in the field of chemistry and related disciplines. https://www2.ung.si/~arcon/xas/aboutus/iarconcv.htm

Izbrane objave /selected publications
1) LORBER, Kristijan, ARČON, Iztok, HUŠ, Matej, ZAVAŠNIK, Janez, SANCHO- PARRAMON, Jordi, PRAŠNIKAR, Anže, LIKOZAR, Blaž, NOVAK TUŠAR, Nataša,
DJINOVIĆ, Petar. Light-assisted catalysis and the dynamic nature of surface species in the reverse water gas shift reaction over Cu/γ−Al2O3. ACS applied materials & interfaces. [Online ed.]. Dec. 11, 2024, vol. 16, iss. 49, str. 67778–67790, ilustr. ISSN 1944-
8252. https://pubs.acs.org/doi/10.1021/acsami.4c15849, DiRROS - Digitalni repozitorij raziskovalnih organizacij Slovenije, Repozitorij Univerze v Novi Gorici - RUNG, DOI: 10.1021/acsami.4c15849. [COBISS.SI-ID 218386947]
2) LUIN, Uroš, ARČON, Iztok, VALANT, Matjaž. Structure and population of complex ionic species in FeCl2FeCl2 aqueous solution by X-ray absorption spectroscopy. Molecules. Feb. 2022, vol. 27, iss. 3, str. 1-13, ilustr. ISSN 1420-3049. DOI: 10.3390/molecules27030642.
3) GABRIJELČIČ, Matej, RAJH, Ava, TRATNIK, Blaž, BUČAR, Klemen, ARČON, Iztok, PETRIČ, Marko, DOMINKO, Robert, KAVČIČ, Matjaž, KRAJNC, Andraž, VIŽINTIN,
Alen. Investigating hard carbons in na-ion batteries through X-ray Raman Scattering and operando NMR spectroscopy. V: Smarter 8 : book of abstracts : September 22-25, 2024, Univ. Aveiro, Portugal. [S. l.: s. n.], 2024. Str. 70. https://media.sci- meet.com/smarter8.events.chemistry.pt/100112ce-4878-452d-8878- df34ee425603/Smarter8_abstracts.pdf. [COBISS.SI-ID 213168899]
4) KODRE, Alojz, ARČON, Iztok, PADEŽNIK GOMILŠEK, Jana. Gases. V: CHANTLER, C. T.

RUNG, DOI: 10.1107/S1574870722003202. [COBISS.SI-ID 206379267]
5) SIHER, Anja, MAVER, Ksenija, LUIN, Uroš, PINTAR, Albin, ARČON, Iztok, MAVRIČ,
Andraž. Beyond surface area : enhanced pseudocapacitive properties of cobalt layered double hydroxide through structural modifications. Surfaces and interfaces. 2025, vol. 62, [article no.] 106174, 8 str., ilustr. ISSN 2468-
0230. https://www.sciencedirect.com/science/article/pii/S246802302500433X, Repozitorij Univerze v Novi Gorici - RUNG, DOI: 10.1016/j.surfin.2025.106174. [COBISS.SI-
ID 228947715].