Tim Schultze

M. Sc.
Tim Schultze
Lehrstuhl für Physikalische Chemie I und Institut für Physikalische Chemie


Building: 2400

Room: 304

Landoltweg 2

52074 Aachen


Phone: +49 241 80 94740
Fax: +49 241 80 92128

Helmholtz-Institut Münster (HI MS), IEK-12, Forschungszentrum Jülich

Research Topic:

Theoretical study of migration mechanisms in solid oxide electrolytes for rechargeable oxide batteries.

The migration energies and defect interactions are crucial for the ionic conductivity in solid state materials. Computational methods help to understand and predict migration mechanisms in established and new materials.

My work focuses on the study of the migration paths and corresponding migration energies in promising oxygen ion conductors, in particular with interstitial migration mechanisms. For the investigations density functional theory, molecular dynamics and Monte Carlo simulations are applied and a special focus is laid on the relationship between composition, structure and conductivity.

The theoretical investigations are complemented by experimental results using impedance spectroscopy.


Conference contributions:

- Computational investigation of lanthanum apatites as solid state electrolytes, T. Schultze, S. Grieshammer, 2018, „Bunsentagung“, Hannover, Germany, Poster Presentation.