▎ 摘　　要

The proton (H+) conductivity is very crucial for graphene applications in the field of proton membrane fuel cell (PEMFC), and the absorption and penetration of H+ are fundamental steps for the H+ conduction. In order to improve the H+ conductivity in graphene, loading catalytically active metals such as Pt on the graphene surface is an effective method. First-principles calculations were thus employed to investigate the absorption and penetration behaviors of H+ on Pt-supported graphene, and the doping effect of substitutional elements such as B, N, and S were also involved. It is found that the absorption and penetration behaviors of H+ on Pt-supported graphene depend strongly on the loaded Pt atoms and doped elements. From the viewpoint of absorption energy, N is favorable for the H+ absorption in Pt-supported graphene, while B and S are unfavorable. From the perspective of penetration barrier, B-doping is beneficial for the penetration of H+ in Pt-supported graphene, while N- and S-doping are unbeneficial. On the other hand, Pt loading has a positive effect on the H+ absorption on pristine, B- and N-doped graphene, while has a negative effect on S-doped graphene. Meanwhile, Pt loading has a positive effect on the penetration of H+ in pristine, B-, N- and S-doped graphene. The absorption and penetration behaviors of H+ in Pt-supported graphene are closely dependent on electronic properties, and will be influenced by the introduction of impurity elements.