Materials Chemistry and Catalysis

General Information

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Frank de Groot is professor of X-ray Spectroscopy in the Debye Institute of Nanomaterials Science at Utrecht University. His work reflects a concern with both the theoretical and the experimental aspects of X-ray spectroscopy, including both fundamental studies and applications.  His current interest is in the use of X-ray spectroscopies for the study of the electronic and magnetic structure of quantum materials as well as energy materials, in particular transition metal oxides.

X-ray Absorption Spectroscopy

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X-ray absorption spectroscopy (XAS) is an important tool to determine the electronic structure of molecules and materials. XAS of solids is complex to analyse as one has to describe both the intra-atomic and inter-atomic interactions. Due to the dominance of the intra-atomic interactions 2p XAS of 3d transition metal oxides can be accurately described with crystal field multiplet and charge transfer multiplet models [1, 2]. For an overview of all x-ray and electron spectroscopies see the book Core Level Spectroscopy of Solids.

Resonant Inelastic X-ray Scattering

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Resonant Inelastic X-ray Scattering (RIXS) is an x-ray technique that makes use of a monochromator for both the x-rays that excite the system as well as for the emitted x-rays.  As a photon-in photon-out experiment, RIXS can also be adapted to various working conditions [3].

References

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[1] F.M.F. de Groot, J. C. Fuggle, B. T. Thole, G. A. Sawatzky, Physical Review B, 1990, 41, 2, 928-937

[2] F.M.F. de Groot, J. C. Fuggle, B. T. Thole, G. A. Sawatzky, Physical Review B, 1990, 42, 9, 5459-5468

[3] F.M.F. de Groot, M.W. Haverkort, H. Elnaggar, et al. Nat Rev Methods Primers, 2024, 4, 45

C.V.

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