Presentation Information
[3C04]Oxygen reduction reaction on the basal plane of nitrogen-doped graphene : Effects of graphene-based substrates
*Shota Sato1, Taichi Takashima1, Akira Sumiyoshi1, Ranferi Cacino Betancourt1, Jun Nakamura1 (1. The University of Electro-Communications)
Recently, Nitrogen-doped Graphene (NG)-based materials have been reported to exhibit catalytic activities for the oxygen reduction reaction (ORR). However, the effects of the substrate on ORR activity of NG remain unclear. In this study, we investigated the effects of substrates on the ORR using first-principles calculations. It has been confirmed that ORR activity is linearly correlated with the amount of charge transfer derived from the work function difference between the catalyst and substrates, except for the pristine graphene substrate. The graphene exception arises from the so-called Dirac cone, which is located precisely at the Fermi level.