PhD DAAD scholarship (m/f/d) | Electrochemical reduction of iron oxides by first-principles methods

 The International Max Planck Research School for Sustainable Metallurgy offers a DAAD PhD scholarship (m/f/d) to study the electrochemical reduction of iron oxides by first-principles methods in full time for four years at the Faculty of Chemistry, Theoretical Inorganic Chemistry of the University Duisburg-Essen, Germany.

Project

The working group Theoretical Inorganic Chemistry, headed by Prof. Dr. Kai S. Exner, deals with the theoretical description of electrified solid/liquid interfaces for electrochemical applications. The current position aims to comprehend the elementary reaction steps of the reduction of iron oxides in an electrochemical environment. The successful PhD candidate is co-supervised by Prof. Dr. Rossitza Pentcheva (Faculty of Physics, University Duisburg-Essen).

Density functional theory (DFT) for surface and adsorbate calculations will be used throughout the PhD project to model various iron oxides. Both canonical and grand canonical approaches are applied to describe the elementary reaction steps leading to iron oxide degradation in an electrochemical environment. Using descriptor-based analysis, precursors and limiting steps for the degradation of iron oxide are identified, and the identified precursor species are exerted to (ab initio) molecular dynamics simulations for further analyses of the solid/liquid interface. The obtained insights are compared to the thermal reduction of iron oxide, which is studied in the framework of the IMPRS SusMet in the Pentcheva group. Upon graduation, the successful PhD candidate should have made an important contribution to the atomic scale understanding of iron oxide reduction by means of electrolysis.

The International Max Planck Research School for Sustainable Metallurgy (IMPRS SusMet) is a structured, three-year doctoral program, conducted entirely in English, that takes an intensive interdisciplinary approach and brings together scientists from across the globe in the Rhine-Ruhr metropolitan region of Germany. Partner institutes are

• Max-Planck-Institut für Eisenforschung, Düsseldorf
• Max-Planck-Institut für Kohlenforschung, Mülheim/Ruhr
• Ruhr-Universität Bochum
• Universität Duisburg-Essen

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.

What we offer

• Cutting-edge research in a dynamic work environment
• Well-structured curriculum and close supervision of the PhD projects including regular status meetings
• An international and open-minded community with outstanding opportunities for collaboration

Your profile

• Excellent master’s degree in materials science, physics, engineering or chemistry
• Very good English skills
• In addition, knowledge in the application of electronic structure calculations (density functional theory, e. g., VASP, WIEN2k, CP2K or SeqQuest) are expected. Knowledge in the field of (theoretical) electrochemistry is not required but will be considered positively in the application process.

Required documents

• Motivation letter
• CV
• Bachelor and Master degree certificates and transcript of records
• Certificate of very good English knowledge (IELTS, TOEFL, or similar)
• A recommendation letter from one of your university professors using the DAAD form
  To be sent by the professor to susmet@mpie.de

A Scholarship is provided in the framework of the Graduate School Scholarship Programme (GSSP) of the German Academic Exchange Service (DAAD). After nomination by IMPRS SusMet the successful candidates therefore have to formally apply to DAAD.

Application deadline: 30. April 2023
Starting date: September till December 2023
Please apply online.
We don't accept applications via post or e-mail.

We are committed to employing more handicapped individuals and especially encourage them to apply. The Max Planck Society strives for gender and diversity equality. We welcome applications from all backgrounds.

Contact:
Elke Lorenz
susmet@mpie.de