Study of Oxidation of Carbon Monoxide on the Surface of Sn-doped Carbon Nanotube

摘要

In recent years,the discovery of suitable catalyst to the oxidation of carbon monoxide (CO) is a major concern in industry.In present study,in the first step the carbon nanotube (CNT) with Sn was doped and the surface of Sn-CNT via O2 molecule was activated.In the second step the CO oxidation on the surface of Sn-CNT via Langmuir Hinshelwood (LH) and Eley Rideal (ER) mechanisms was investigated.Results show that O2-Sn-CNT can oxidize the CO molecule via Sn-CNT-O-O* + CO → Sn-CNT-O-O*-CO → Sn-CNT-O* + CO2 and Sn-CNT-O* + CO → Sn-CNT + CO2 reactions.Results show that CO oxidation on activated Sn-CNT surface via the ER mechanism has lower energy barrier than LH mechanism.Finally,calculated parameters reveal that activated Sn-CNT is an acceptable catalyst with high potential to the oxidation of CO molecule.