Theoretical study of ammonia oxidation on platinum clusters - Adsorption of intermediate nitrogen dimer molecules

- N2H4 and N2H2 molecules adsorb on platinum with end-on configuration.
- N2H3 and N2H radicals adsorb on platinum with side-on configuration.
- Calculated vibration modes provide marker for N-N bond formation.
- Dimer molecules are not responsible for deactivation of platinum catalyst.
- OH, NH2, NH and N are possibly responsible for platinum catalyst deactivation.