| Abstract
| - Active site structure for NO decomposition carried out on perovskite-like oxides were discussed based on theN2 yield measured from LaSrNi1-xAlxO4 with different B-site cations and from La2-ySryCuO4 with differentcrystal phases. Results show that the active site contains two oxygen vacancies, two transition metals, andone lattice-oxygen, with the oxygen vacancy locating on the apex of MO6 octahedron, and the lattice oxygenlocating between the two transition metals (i.e., M−O−M plane). Density functional theory (DFT) analysisto the structure shows that this new active site is the most active structure for NO adsorbing, and hence, forNO decomposition. The similar trend of the relative energies that are required for the formation of oxygenvacancies with f form (calculated from DFT), the amount of oxygen vacancies, and the activities (N2 yield)certifies this result further.
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