Sodium-ion batteries are emerging as a promising alternative to lithium-ion technology due to the abundance and low cost of sodium. The development of these next-generation batteries and suitable materials requires fundamental understanding of the atomic-scale processes that govern performance, stability, and degradation. Atomistic simulations can provide insights into this solid-state chemistry, enabling the investigation of reaction mechanisms, structural transformations, and interfacial phenomena at the atomic level.
In Division 6.6 “Digital Materials Chemistry”, at the Bundesanstalt für Materialforschung und -prüfung (BAM), we study materials with state-of-the-art simulation methods including density functional theory and machine learning interatomic potentials. This thesis will employ these and other methods to investigate the structural stability, phase evolution, and degradation mechanisms that occur during electrochemical cycling of sodium ion cathode materials. The project aims to provide fundamental insight into the electrochemical behavior and performance of sodium-ion cathodes. By identifying key mechanisms that govern stability and degradation, the thesis will contribute to the development and optimization of more durable and efficient battery materials.
Required profile:
- Graduation in chemistry, physics, materials science, or related disciplines
- Basic knowledge of quantum mechanics and solid-state physics
- Experience with Linux and programming (e.g., Python, Bash)
- Interest in computational materials modeling
- Familiarity with DFT software, machine learning, molecular dynamics or high-performance computing (HPC) is advantageous
We offer you:
- Work on sustainable energy storage materials with modern simulation methods
- Access to high-performance computing resources
- Cooperation with an experimental group working on the same system
- Supervision in a collaborative and interdisciplinary research environment
Your application:
The starting date of the thesis is flexible and can be arranged individually. Please send your application via email to Dr. Hanna Türk (hanna.tuerk@bam.de) including a brief motivation letter, CV, and transcripts (incl. grades). You can look forward to a motivated team that appreciates your commitment and encourages your development. If you have any further questions, please do not hesitate to contact us.