Abstract
Using density functional theory, we investigated the electronic properties of SiC monolayer and tested its catalytic activity toward CO oxidation. The planar nature of a SiC monolayer is found to stable and is a high band gap semiconductor. CO interacts physically with SiC surface, whereas O 2 is adsorbed with moderate binding. CO oxidation on SiC monolayer prefers the Eley Rideal mechanism over the Langmuir Hinshelwood mechanism, with an easily surmountable activation barrier during CO 2 formation. Overall metal free SiC monolayer can be used as efficient catalyst for CO oxidation.