Electroreduction of oxygen on the surface of carbon based 2D materials supported on silicon carbide

Abstract

In this study, we studied oxygen reduction reaction (ORR) on 2D carbon based materials theoretically. Three different carbon materials were modelled, nitrogen doped graphene (NGr), nitrogen doped graphene supported on SiC (NGr/SiC) and SiC buffer layer. We calculate reaction free energies of ORR on these systems by using DFT calculations and compare each onset potentials. The NGr/SiC showed a higher onset potential with more stabilization of * OOH and * O compared to the NGr. The reaction on the silicon carbide buffer layer exhibited the highest onset potential of 0.75 V. The carbons in the buffer layer chemically bonded to silicon are expected to chemically react without doping, unlike conventional graphene.