Team members

    • Kathrin Berisha

      PhD student
      Kathrin works on modelling the reoxidation of CeCl3 during the reactivation of the CeO2 catalyst in the Deacon process using Density Functional Theory and Kinetic Monte Carlo Methods.

    • Alexander Kafka

      PhD student
      Alexander works on modelling the formation of volatile PtO2 from Pt alloy catalysts in oxidative catalysis, such as the Ostwald process, with the goal of enhancing long-term stability and reducing the loss of noble metal.

    • Emmanuelle Hagopian

      M.Sc. student
      Emmanuelle studies the activation of O2 over La0.8Sr0.8MnO3-based SOFC electrodes using DFT.

    • Thanika Schneider

      B.Sc. student
      Thanika studies the activity trends of the CH4 + CO2 -> CH3COOH coupling reaction on transition metal surfaces using DFT calculations.