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Postdoc position: Modeling of high-entropy oxide ... (No replies)
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The Exner group is going to hire a postdoctoral fellow as
Scientific Researcher (f/m/d)
(Payment according to Grade E 13 TV-L, 100%)
at the Faculty of Chemistry, Theoretical Inorganic Chemistry, Campus Essen.
The working group Theoretical Inorganic Chemistry, headed by Prof. Dr. Kai S. Exner, deals with the theoretical description of catalytic processes at electrified solid/liquid interfaces for electrochemical applications. As part of DIMENSION, a 3-year research project funded by the Mercator Research Center Ruhr (MERCUR) on new functional materials for energy conversion, a postdoctoral position is to be filled that aims to comprehend the oxygen evolution reaction (OER) over high-entropy oxides on the atomic scale in close cooperation with other experimental and theoretical working groups. The scientific researcher can network well within DIMENSION and uses these synergies to resolve the elementary processes of the OER to spur materials development.
Main research topics and duties:
Scientific participation in the research project DIMENSION (further information can be found here: https://materials-chain.com/research/dimension/). The advertised position is part of the Exner group, which focuses on the application of density functional theory (DFT) calculations for the description of electrocatalytic reactions. There is a strong link to the group of Prof. Drautz, which focuses on the determination of stable bulk phases, based on which surface models for the investigation of the OER are derived.
Oxygen evolution reaction (OER) is the bottleneck to produce the energy vector H2 in electrolyzers. In this project, we aim to theoretically screen and predict new materials for the OER based on high-entropy oxides. The elementary steps of the OER are aimed to be understood at the atomic level and are connected to experimental data within DIMENSION. For this purpose, electronic structure calculations in the DFT approximation are used, which are analyzed by descriptor-based approaches. An exemplary overview of the methods used in the Exner group can be found in the literature (e. g., https://scholar.google.com/citations?view_op=list_works&hl=de&hl=de&user=i6og1jMAAAAJ):
In addition, the scientific researcher will be involved in the implementation of teaching activities or administrative tasks.
Required qualifications:
Above-average university degree in chemistry or physics of at least 8 semesters. A good degree (at least 2.0 according to the German grading system) is expected. Furthermore, you hold a PhD in theoretical chemistry or theoretical physics, ideally specialized in the field of theoretical electrochemistry. You should have excellent knowledge in at least two of the below areas, ideally in several of them:
Excellent knowledge of the theoretical fundamentals of electronic structure calculation and excellent programming skills (Python, Java, C++, Wolfram Mathematica, or others) are also expected.
Application deadline: January 18, 2023
Expected start of position: April 1, 2023
Contract period: 18 months
Please submit your application (motivation letter, CV, diplomas, transcript of modules taken with grades, PhD certificate, a letter of recommendation) quoting reference 2202-22 to Prof. Dr. Kai Exner, Universität Duisburg- Essen, Fakultät für Chemie, Campus Essen, 45117 Essen. Please compile your application in a single PDF file and send it via email to [email protected].