Stefan Jütten

Exploring Phase-Change Materials for Heat-Storage from First Principles

  • Accurately describe critical properties of solid-solid phase-change materials utilizing density functional theory
  • Tailor material properties by introducing defects
  • Study perturbations of electronic structure by external fields
  • Improve thermodynamic modeling and prediction of thermal hysteresis phenomena from ab initio derived quantities
  • Screen compound space and low defect-concentration space with semi-empirical methods

Stefan Jütten

Group: Mulliken Center for Theoretical Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn