Design of bimetallic Rh-M catalysts for N₂O decomposition: From DFT calculation to experimental study

To understand the second doped metal influence on catalytic activity for N₂O decomposition, the mechanisms of N₂O decomposition over Rh-M(M = Co, Ni and Cu) bimetallic catalysts were investigated by density functional theory (DFT). Co doped into Rh catalyst can increase the activity for N₂O decomposition due to the decrease of the activation energy of rate-determining step while Ni and Cu present contrary performance. A series of corresponding RhM catalysts supported on SBA-15 was prepared and applied in N₂O catalytic decomposition. The catalytic activity trend of Rh-M catalysts for N₂O decomposition is determined as Rh₇Co₁/SBA-15 > Rh/SBA-15 > Rh₇Ni₁/SBA-15 > Rh₇Cu₁/SBA-15, which is in consistency with the corresponding DFT calculation results.