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Frank de Groot is professor of Synchrotron and Theoretical Spectroscopy
of Catalytic Nanomaterials 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, in
particular for transition metal oxides, (magnetic) nanoparticles and
heterogeneous catalysts under working conditions. (extended
CV)
News
CTM4XAS2012: A
two-day workshop on the use of the CTM4XAS and CTM4RIXS programs (13 &
14 February 2012, Utrecht)
Radcliffe Exploratory Seminar: A two-day workshop on the 'x-ray
view' on the structure and formation of condensed matter in
astrophysical environments (26 & 27 January 2012, Harvard)
Affiliated Professor of Photon
Science at SLAC National Accelerator Laboratory and Stanford University
(from January 2012)
Google Scholar: list of publications
Inaugural Lecture:
PDF version in Dutch or
English (October 2010) Please send me an email
to receive a paper copy.
Research topic 1:
Interpretation of X-ray Absorption Spectroscopy
X-ray Absorption Spectroscopy is a powerful tool to study materials. K edge
X-ray absorption spectra are studied with ab-initio
electronic structure calculations. L edge spectra are
interpreted with charge transfer multiplet calculations as
well as with first-principles calculations.
The
CTM4XAS charge transfer multiplet program
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.
-
The CTM4XAS program for EELS
and XAS spectral shape analysis of transition metal L edges,
E. Stavitski and F.M.F. de
Groot, Micron 41,
687 (2010) reprint
-
Angular dependence of core hole screening in
LiCoO2: A DFT+U calculation of the oxygen and cobalt K-edge
x-ray absorption spectra, A. Juhin, F. de Groot, G. Vankó,
M. Calandra and C. Brouder, Phys. Rev. B. 81,
115115 (2010)
link
-
Core Level Spectroscopy
of Solids, Frank de Groot and Akio Kotani, Taylor &
Francis CRC press, 2008; See the Taylor
& Francis website
Research topic 2: Nanoparticle-adsorbate
interactions: synthesis and characterization
The nanoparticle size
induces confinement effects and a large
surface-to-bulk-ratio. In case of transition metals,
the small size also increases the electronic correlation effects, which
in turn are crucial for the nanoparticle usage as catalysts
and as magnetic devices. The many-body electronic
structure of nanoparticles will be investigated by a combination
of advanced experimental and theoretical tools. We
intend to study free nanoparticles, nanoparticles on
flat surfaces and nanoparticles in
porous oxides, with a combination of x-ray
experiments and electronic structure theory. With
X-ray spectromicroscopy a movie of the dynamics of
the nanoparticle-adsorbate
interaction can be made. Electron microscopy
provides static element specific images with atomic
resolution. In-situ depth profiling XPS will be used
to study the different nature of surface and bulk of
nanoparticle alloys. more
M.M. van
Schooneveld, A. Gloter, O. Stephan, L.F. Zagonel,
R. Koole, A. Meijerink, W.J M. Mulder, F.M.F.
de Groot, Nature Nanotechnology 5,
538 (2010) reprint
Research topic 3: In-situ X-ray spectromicroscopy of working
catalystsScanning
Transmission X-ray Microscopes can measure soft x-ray absorption
spectra with 10 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 and 500 celsius. more.
-
In-situ Scanning Transmission X-Ray Microscopy of Catalytic Solids
and Related Nanomaterials,
F.M.F. de Groot, E. de Smit, M. M. van Schooneveld, L. R. Aramburo,
and B. M. Weckhuysen,
ChemPhysChem 11,
951 (2010)
-
Nanoscale Chemical Imaging of the Reduction Behavior of a Single
Catalyst Particle,
E. de Smit, I. Swart, J.F. Creemer, C. Karunakaran, D. Bertwistle,
H.W. Zandbergen, F.M.F. de Groot, B.M. Weckhuysen, Angewandte
Chemie 48, 3632
(2009).
-
Nanoscale chemical imaging of a working catalyst by scanning
transmission X-ray microscopy,
E. de
Smit, I. Swart, J.F. Creemer, G.H. Hoveling, M.K. Gilles, T.
Tyliszczak, P.J. Kooyman, H.W. Zandbergen, C. Morin, B.M.
Weckhuysen, F.M.F. de Groot,
Nature 456,
222 (2008)
link
The nature article in the press
Research topic 4: Development of Resonant Inelastic
X-ray Scattering
Resonant Inelastic X-ray Scattering (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 fluorescent
x-rays. more
-
Strong K-edge magnetic circular dichroism
observed in photon-in photon-out spectroscopy,
M. Sikora, A. Juhin, T.C. Weng, P. Sainctavit,
C. Detlefs, F.M.F. de Groot and P. Glatzel,
Phys. Rev. Lett. 105,
037202 (2010) reprint
-
Spin-orbit mediated interference in the radiative
and nonradiative channels of the La 4d core
resonances,
E. Suljoti, F. M. F.
de Groot, M. Nagasono, P. Glatzel, F. Hennies, M.
Deppe, A. Pietzsch, B. Sonntag, A. Fohlisch, and W.
Wurth, Phys. Rev. Lett. 103,
137401 (2009)
Conference: The Electronic
Structure of Transition Metal Systems
We
organize a one-day conference in Utrecht on October 21,
2010. The goal of the conference is to sketch the
state-of-the-art theory & experiments on the role of
transition metal ions and physics, chemistry and biology.
The focus will be on the derivation of electronic and
magnetic structure information from x-ray experiments, where
we intend to confront the theory & modeling of solid state
physics with coordination chemistry. The afternoon will
focus on the combination of x-ray spectroscopy wit
microscopy. Speakers include George Sawatzky, Ed Solomon,
Pietro Gambardella, Maurits Haverkort, Odile Stephan, Maya
Kiskinova, Steve Cramer & Pieter Glatzel.
More.
July 31, 2009 - IXAS Outstanding Achievement Award
The
International X-ray Absorption
Society (IXAS) has presented its 2009 Awards for
important achievements in the field of XAFS.
The picture shows Andrea di Cicco presenting the IXAS Edward
Stern Outstanding Achievement Award to Frank de Groot at the
XAFS14 conference in Camerino. The Award is shared with
Britt Hedman, Deputy Director of the Stanford synchrotron.
The Outstanding Achievement Award is the highest award of
the IXAS and is given every three years for outstanding
accomplishments across all X-ray absorption spectroscopy
disciplinary areas, including experimental and theoretical
studies. The award recognizes the fundamental contributions
of Frank de Groot to the theory of X-ray Spectroscopy and
its applications in condensed matter research. |