The Impact of Nanoscale Percolation in Yttrium-Doped BaZrO3 on the Oxygen Ion and Proton Conductivities : A Density Functional Theory and Kinetic Monte Carlo Study

Draber, Fabian Michael; Denninger, Johannes R.; Müller, Peter C.; Sommerfeld, Isabel K.; Martin, Manfred (Corresponding author)

Weinheim : Wiley-VCH (2022)
Journal Article

In: Advanced energy & sustainability research
Volume: 3
Issue: 8
Page(s)/Article-Nr.: 2200007


  • JARA - ENERGY [080011]
  • JARA-CSD (Center for Simulation and Data Science) [080031]
  • Department of Chemistry [150000]
  • Chair of Solid-State and Quantum Chemistry [151110]
  • Chair of Physical Chemistry I and Institute of Physical Chemistry [153110]
  • Chair of Macromolecular Chemistry [154610]