▎ 摘　　要

Studied the oxygen reduction reaction activity of materials with different structures such as single-doped N, single-doped Pt, and double-layer graphene (BLG) co-doped with N and Pt. The BLG models under different doping conditions are established, and then oxygen molecules are adsorbed on the surface of BLG-based catalyst models. Through optimizing the structure of established models, the adsorption energy of oxygen for different models is calculated and then compares their oxygen reduction activities. Finally, it is found that the oxygen reduction activity of platinum-decorated and nitrogen-doped BLG is better than that of single doping. Meanwhile, the ORR activity of surface adsorption is also better than that of interlayer adsorption.