Seminar by Prof. Gerald Seidler (University of Washington) on "From the Early Days of Quantum Mechanics to Modern Analytical Practice: The History and Future of X-ray Absorption Spectroscopy."

18 Nov 2025
Seminar Room # 350, second floor annex

Speaker: Prof. Gerald Seidler
University of Washington, Seattle, United States

Title: "From the Early Days of Quantum Mechanics to Modern
Analytical Practice: The History and Future of X-ray
Absorption Spectroscopy."

Day and Date: Tuesday, November 18, 2025

Time: 14.00 Hrs.

Venue: Room no. 350, Chemistry Department
Second floor, Annex

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Hosted by Prof. Maheswaran Shanmugam

Talk Title : "From the Early Days of Quantum Mechanics to Modern Analytical Practice: The History and Future of X-ray Absorption Spectroscopy."
Abstract
Catalyst characterization follows well-defined analytical practices for each industrial product line. For newly synthesized or newly manufactured supported heterogeneous catalysts, one must establish that the desired surface areas, metal dispersions. and local atomic environments have been achieved, so that the anticipated catalytic behavior is possible. On the other hand, as the supported heterogeneous catalyst is used and gradually degrades, the testing emphasis moves to the evaluation of a wide range of possible failure mechanisms. In this seminar, I consider how the established, routine analysis of new and used catalysts can be improved by laboratory-based X-ray Absorption Fine Structure (XAFS). XAFS has a long history as a specialist synchrotron method giving uniquely direct information on the oxidation state and local environment of metal species in supported heterogeneous catalysts. However, easyXAFS launched a rebirth of laboratory XAFS in 2015 with to provide synchrotron-quality spectra with immediate access. In our first ten years we have delivered more than 130 spectrometers to academic research groups around the world, and more than 60% of our customers perform catalyst research. As we begin to meet catalyst industry analytical needs with XAFS spectrometers and with our new XAFS On Demand measurement services effort, we’ve learned a new reality: XAFS applications for industrial materials testing often do not require new theoretical calculations and advanced modeling. Instead, the needed product-specific figures of merit are often qualitative or can be calibrated from samples at different chemical extremes. Even in cases where expert care is needed to define a new XAFS-based test method, its subsequent execution can be automated and does not require synchrotron expertise and high training in the theory and analysis of XAFS. The situation is the same for optical spectroscopies, x-ray diffraction, and NMR – neither those techniques nor XAFS are only for experts. I will begin with a qualitative perspective on XAFS that equips non-experts with an introductory interpretation of XAFS: bond length and coordination number evaluation, oxidation state, and local coordination geometry. This will be followed with case studies on catalysts and, finally, with discussion of possible use cases for laboratory XAFS in routine analysis of both newly manufactured and deactivated industrial catalysts. This will include industrial applications for both research and development of new materials and for improved quality assurance of new and existing product lines.