Study of the NH3-SCR Mechanism on LaMnO3 Surfaces Based on the DFT Method

LaMnO3 with perovskite structure is a SCR de-NOx catalyst good performance at low temperatures. In this paper, the reaction process on 010 surface of was studied by DFT method, to guide development catalysts and their effective application. The results obtained through research indicate that both E-R L-H mechanisms exist surface. NH3 molecule can be absorbed L acid then oxidized lattice oxygen form NH2. Then, NH2 react NO NH2NO decompose N2 H2O. also hydroxyl NH4+, it decompose. NH4+ NO3− which formed when O2 present, participate in rapid process.