      
Frank de Groot is professor of X-ray Spectroscopy in the
Department of Chemistry at Utrecht University. His work reflects a concern
with 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 condensed matter and heterogeneous catalysts under
working conditions. (extended CV)
Google
Scholar list of publications
PhD theses open access PDF
XASEELS database Database of oxygen K edges and iron L
edges
Research topic 1: Interpretation of X-ray Absorption
Spectroscopy
X-ray absorption spectroscopy (XAS) is an important tool
to determine the electronic structure of molecules and materials. The power
of x-ray absorption experiments is that they can be performed under a wide
range of working conditions with high spatial and temporal resolution.
The theoretical understanding of XAS spectra of transition
metal systems is divided into
(a) first principle methods to simulate the 1s core
excitations and (b) cluster based semi-empirical charge transfer multiplet
calculations to simulate the 2p core excitations. For an overview see Core Level
Spectroscopy of Solids. CTM4XAS is a user-friendly interface that can be used to
simulate core level spectra (XAS, EELS, XPS, RIXS, Auger) of transition
metal and rare earth systems. Micron 41, 687 (2010))
Research topic
2: Resonant Inelastic X-ray Scattering (RIXS)
RIXS is
a spectroscopic 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 with a similar large array of possibilities as XAS
experiments. Angew.
Chem. 52, 1170 (2013)
Research topic
3: In-situ X-ray spectromicroscopy of working
catalysts
Transmission
X-ray Microscopes can measure soft x-ray absorption spectra with 20 nm
spatial resolution. With the use of a nanoreactor we have used STXM spectromicroscopy to image the chemistry of a working
catalyst at 1 bar working conditions. more. The 2012 showed that one can
now also measure hard x-ray absorption spectra with 20 nm spatial
resolution, at 10 bar working conditions. Angew. Chem. 124,
12152 (2012); ChemPhysChem 11, 951
(2010); Nature 456, 222
(2008).
|