Our doctoral program offers a
PhD position in computational modelling of nanoscale oxide materials for
energy conversion applications
at the University Duisburg-Essen in full time for three years.
The transition of heavy industry as e.g. the steel production in the Ruhr area
towards environmental friendliness encompasses the development of novel
technologies that use hydrogen instead of carbon to reduce iron ores. This
requires a fundamental understanding of the mechanisms on the atomic scale.
Within the project a systematic investigation will be performed on the
adsorption and incorporation of hydrogen on the surfaces of different iron
oxide phases based on state-of-the-art material-specific quantum mechanical
simulations using density functional theory and beyond. An essential aspect is
to link the energetic trends with the underlying electronic and magnetic
properties (including cation charge and orbital ordering) to gain
fundamental understanding of the structure-property relation. The successful
candidate will perform the research at the Department of Physics, Theoretical
Physics with Prof. Rossitza Pentcheva, and, in parallel, be a graduate student
of the IMPRS SusMet.
The IMPRS SusMet
Our structured, three-year doctoral program, conducted entirely in English,
takes an intensive interdisciplinary approach and brings together scientists
from across the globe in the Rhine-Ruhr metropolitan region of Germany.
Our partner institutes:
Max-Planck-Institut für Eisenforschung, Düsseldorf
Max-Planck-Institut für Kohlenforschung, Mülheim/Ruhr
Metallurgy has provided humankind since more than five millennia with
materials, tools and the associated progress. It is not only a huge
engineering success story, but has also become the biggest single industrial
environmental burden of our generation. Disruptive innovations are required
for alternative reduction processes that convert mineral ores into metals
without today's carbon based methods that release huge amounts of CO2. SusMet
focuses on the exploration of carbon-free sustainable metallurgy, employing
hydrogen as reducing agent, direct electroreduction (electrolysis) and
plasma synthesis. Correlated experimental, ab initio and multi-scale
techniques are central to our mission.
Excellent master's degree in physics, chemistry or materials science with
focus on (theoretical) solid state physics or chemistry. Experience with ab
initio modelling of materials and programming skills are desirable.
Further requirements include very good written and oral communication skills
in English, ability to work independently and to cooperate with both
theoretical and experimental partners.
What we offer
Cutting-edge research in a dynamic work environment
Well-structured curriculum and close supervision of the PhD project
including regular status meetings
An international and open-minded community with outstanding opportunities
TV-L EG 13 65%, about 34.000€ gross per year
Application deadline: June 1st 2022
Starting date: August 1st 2022 or individually later
Please apply online. We don't accept applications via post or e-mail.
The Max-Planck-Institut für Eisenforschung GmbH is committed to employing more
handicapped individuals and especially encourages them to apply. The Max
Planck Society strives for gender and diversity equality. We welcome
applications from all backgrounds.