What is it about?
This study critically evaluates whether laboratory-based X-ray Absorption Fine Structure (XAFS) spectroscopy can serve as a viable alternative to more established techniques like X-ray diffraction (XRD) and Mössbauer spectroscopy for quantitative species analysis. Using a natural iron ore composed mainly of hematite and magnetite as an example, the authors compare the accuracy and capabilities of each method. Synthetic reference materials and controlled mixtures were also analyzed to benchmark performance. The XAFS measurements were performed using a custom-built, laboratory-based von Hámos spectrometer with a Highly Annealed Pyrolytic Graphite (HAPG) crystal optic. Quantification was done using linear combination fitting (LCF) of reference spectra. The results demonstrated that laboratory XAFS provides comparable accuracy to XRD for determining the ratio of iron oxide species and, in some cases, even offered complementary insights to Mössbauer spectroscopy
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Why is it important?
Laboratory-based XAFS offers a promising pathway for quantitative species analysis without the need for access to large-scale synchrotron facilities. This can make species specific analysis more accessible for routine and industrial applications. Until now, XRD in general and Mössbauer spectroscopy for iron speciation have been the gold standards for such work, but they come with their own limitations—XRD is restricted to crystalline phases, while Mössbauer is element-specific and depends on radioactive sources. This work shows that modern lab-XAFS can overcome some of these limitations, expanding the analytical toolbox for materials science, geochemistry, and catalysis research. Especially in the context of increasing demand for decentralized, flexible, and cost-effective analytical solutions, lab-XAFS has the potential to significantly broaden access to advanced materials characterization.
Perspectives
From my point of view, this publication reflects a key shift in the analytical sciences. As someone deeply involved in the development of laboratory-based spectroscopic tools, I see this work as an important step forward that helps bring quantitative lab-XAFS from niche application into broader use. What excites me most is the method’s flexibility: it doesn’t require strict crystallinity, is element-specific, and avoids the regulatory challenges of radioactive sources. I believe this is just the beginning of broader adoption, especially for laboratories that lack synchrotron access but still require high-quality data. Personally, contributing to this study has strengthened my conviction that with continued refinement, lab-XAFS will soon be a go-to method for species analysis across disciplines.
Sebastian Praetz
Technische Universitat Berlin
Read the Original
This page is a summary of: Can laboratory-based XAFS compete with XRD and Mössbauer spectroscopy as a tool for quantitative species analysis? Critical evaluation using the example of a natural iron ore, PLOS One, May 2025, PLOS,
DOI: 10.1371/journal.pone.0323678.
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