Energy Materials

The working group Energy Materials deals preferably with crystalline materials with complex crystal structures from the fields of energy and material conversion and storage. In addition to methodological work, materials for intercalation electrodes and solid electrolytes for novel approaches to electrochemical energy storage, pyroelectric crystals, and dyes for organic solar cells are being studied. Special emphasis is placed on materials with complex structural finenesses on the atomic scale, such as modulated structures and aperiodic crystals, N-dimensional crystallography, and X-ray determined electron densities. In particular, experimentally determined electron densities form the interface to theoretically calculated ones. This enables a comparison between theory and experiment or electronic structure and chemical and physical properties. In addition to modern methods, established experimental and theoretical methods of crystallography and electrochemistry are used:

  • FIB preparation,
  • X-ray single crystal diffraction,
  • X-ray electron density determination,
  • N-dimensional crystallography,
  • Maximum Entropy Method,
  • Theoretische methods for structure modelling and structure characterisation: density functional theory, bond valence site energy, Voronoi Dirichlet partitioning, machine learning,
  • Impedance spectroscopy,
  • Chronoamperometry,
  • Tubandt method,
  • Cyclovoltammetrie,
  • Charge-/discharge cycling.

The principal investigator is Tilmann Leisegang. Examples of the work can be found here.