▎ 摘　　要

Electrochemical catalysis provides a clean and economical way for hydrogen peroxide synthesis. In this work, two-electron oxygen reduction activity on the functionalized graphene is studied via density functional theory calculation. We show that the theoretical catalytic activity can be controlled by structure and chemical functionalization of special carbon sites on the graphene. Especially, we show that partial sulfurized graphene nanoribbon shows catalytic activity close to the theoretical maximum and the excellent catalytic activity is explained by the doping level of C-2pstate of the adsorption site. Graphic