Study of capacity of Sn-C60 and Ge-B36N36 nanocages as catalysts of oxidation of SiO and N2 molecules

The discovery of acceptable catalysts to oxidation of the silicon monoxide (SiO) and nitrogen (N-2) molecules has high importance. In present study, the C-60 and B36N36 nanocages with Sn and Ge were adsorbed, respectively and then surfaces of Sn-C-60 and Ge-B36N36 via O-2 were activated. In this study, the oxidation of the SiO and N-2 molecules on surfaces of the Sn-C-60 and Ge-B36N36 via the Langmuir Hinshelwood (LH) and Eley Rideal (ER) mechanisms was investigated, respectively. Results showed that the Sn-C-60 and Ge-B36N36 can oxidize the SiO and N-2 molecules via C-60 - Sn + SiO + O-2 -> C-60 - Sn - O + SiO2 and B36N36-Ge + N-2 + O-2 -> B36N36 - Ge-O + N2O reactions, respectively. Results showed that the oxidation of SiO and N-2 on surfaces of Sn-C-60 and B36N36-Ge nanocages via the LH mechanism has lower energy barrier than ER mechanism. Finally, results revealed that the Sn-C-60 and B36N36-Ge nanocages are acceptable catalysts to oxidation of SiO and N-2 molecules with high performance.