Rational catalyst design has the potential to speed up the discovery of new materials with tailored properties and eventually eliminate trial-and-error testing. The identification of relevant descriptors, screening methods, and the development of structure-property relationships are just a few examples that illustrate these efforts. This session welcomes contributions that describe experimental or theoretical methods that aim to enable the rational design catalytic materials with improved activity, selectivity, stability, or poison resistance. Session III is devoted to N2 reduction and metal oxides and nitrides facilitating Mars van-Krevelen type reaction mechanisms.

Catalysis and Reaction Engineering Division