راضیه رضوی پاریزی

In recent years, the discovery of metal catalysts for the oxidation of silicon monoxide (SiO) has become extremely important. In first step, the Sn adoption of fullerene (C60) was investigated and then activation of surface of Sn-C60 via O2 molecule was examined. In second step, the SiO oxidation on surface of Sn-C60 via Langmuir Hinshelwood (LH) and Eley Rideal (ER) mechanisms was investigated. Results show that O2-Sn-C60 can oxidize the SiO molecule via Sn-C60-O-O∗ + SiO → Sn-C60-O-O∗-SiO → Sn-C60-O∗ + SiO2 and Sn-C60-O∗ + SiO → Sn-C60 + SiO2 reactions. Results show that SiO oxidation via the LH mechanism has lower energy barrier than ER mechanism. Finally, Sn-C60 is an acceptable catalyst with high performance for SiO oxidation in normal temperature.