Chemische Katalyse


My group at TU Berlin does research in the area of computational modeling and simulation of heterogeneous catalyst systems. My special interest is in the modeling of catalyst stability and aging under realistic reaction conditions with the ultimate goal of identifying simple descriptors that enable the prediction of new catalyst materials that are both active and stable.


Catalyst degradation

Catalyst aging is an important issue in heterogeneous catalysis and electrocatalysis, where a catalyst material is used over a prolonged time in a stationary or mobile application, such as a chemical reactor or an energy conversion device.

Kinetic Monte Carlo modeling of surface reactions