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Core Facility "Modelling and Simulation of Materials Systems"

atomistic modell

Atomistic model of first steps in the reverse water gas shift reaction on a ZnO/Cu-catalyst. © Functional Nanosystems Group, Freiburg


Concept Development, Modeling and Simulation of Interactive Materials

  • Multi-scale modeling of molecular systems, complex materials and surfaces
  • Ab-initio simulations of catalytic reactions (see figure)
  • Theoretical spectroscopy (UVVis, IR, photoelectron spectroscope, XPS, XAS, Raman)
  • Scientific head: Prof. Dr. Michael Moseler
  • Responsible manager: PD Dr. Michael Walter
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