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XAS databases and repositories – perspective and current status

Gaur, Abhijeet 1; Abe, Hitoshi; Ishii, Masashi; Paripsa, Sebastian; Grunwaldt, Jan-Dierk ORCID iD icon 1,2; Lützenkirchen-Hecht, Dirk
1 Institut für Technische Chemie und Polymerchemie (ITCP), Karlsruher Institut für Technologie (KIT)
2 Institut für Katalyseforschung und -technologie (IKFT), Karlsruher Institut für Technologie (KIT)

Abstract:

X-ray absorption fine structure (XAFS) methods are widely used, and there is a strong demand to establish well-maintained and reliable XAFS databases. Several XAFS databases have been independently developed based on different requirements of the XAS users’ community. These databases mainly consist of XAS data of references or standard samples from dedicated beamlines at synchrotron facilities available to the individuals or group involved in their development. In the present paper, we report the recent activities regarding the development of XAS databases as presented and discussed during Q2XAFS 2023 workshop held at the Australian Synchrotron in Melbourne (Australia). The features of already existing XAS databases are briefly discussed and summarized. The important components and features of two recently developed XAS databases – MDR XAFS database from Japan and RefXAS database under DAPHNE4NFDI from Germany are described. We report on the recent activities and status of these databases. We further discuss the general challenges of developing such databases, including sustainability, metadata structure, sample identification, curation, user feedback and standardization of data formats.


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Originalveröffentlichung
DOI: 10.1016/j.radphyschem.2026.113897
Zugehörige Institution(en) am KIT Institut für Katalyseforschung und -technologie (IKFT)
Institut für Technische Chemie und Polymerchemie (ITCP)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 04.2026
Sprache Englisch
Identifikator ISSN: 0969-806X
KITopen-ID: 1000192077
HGF-Programm 38.03.02 (POF IV, LK 01) Power-based Fuels and Chemicals
Erschienen in Radiation Physics and Chemistry
Verlag Pergamon Press
Seiten Art.-Nr.:113897
Projektinformation DAPHNE4NFDI, 460248799 (DFG, NFDI 40/1)
Vorab online veröffentlicht am 04.04.2026
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