Interplay between Spectroscopic Measurement Techniques and Computational Chemistry for Catalytic Ammonia Combustion

The future of a carbon-free (carbon neutral) society depends on balancing the intermittent production of renewable energy with the continuously growing but variable energy demand. Fuel NH3 combustion is a renewable and carbon-free energy source. However, the utility of fuel NH3 is limited by factors such as high ignition temperature and N2O/NOx generation. Novel catalytic combustion systems and high-performance catalysts have been developed to overcome these disadvantages. Single and binary Cu, Ag and Pt catalysts supported on Al2O3-based materials can be used for NH3 combustion because of their high combustion activity, low N2O/NOx (high N2) selectivity, and high thermal stability. Computational chemistry methods and spectroscopic measurement techniques have revealed the relationship between the physicochemical properties and activity/selectivity of these catalysts as well as the reaction mechanisms of catalytic NH3 combustion over these catalysts. This review provides an overview of various studies on these catalysts, particularly investigating the decomposition profile of N2O which is a greenhouse gas (GHG).