Catalysis & Materials Theory

The Nørskov group is focused on the development of an understanding of materials properties in general and catalysts in particular on the basis electronic structure calculations.  This includes development of a fundamental understanding of chemical processes at the gas-solid and liquid-solid interface as well as chemical conversion processes with special emphasis on sustainable production of fuels and chemicals.

Major thrusts include:

Development of a general theory of heterogeneous catalysis

Method development

New low pressure and temperature N2 reduction processes

Electrochemical water splitting and oxygen reduction

Thermochemical CO and CO2 reduction

C-H bond activation