Research on the oxygen reduction reaction (ORR) mechanism of g-C3N4 doped by Ag based on first-principles calculations

Developing non-platinum composite catalysts has become a hot research topic for the oxygen reduction reaction (ORR). In this study, Ag/g-C3N4 (the mass ratio of Ag and g-C3N4 = 3%) catalysts were prepared through a photoreduction method. The catalytic performance of g-C3N4 was greatly enhanced after Ag doping. The current density of Ag/g-C3N4 was -21 mu A/mm(2), which is 3 times that of pure g-C3N4. The mechanism of ORR activity enhancement is discussed based on first-principles calculation. Ag, as the active site, can reduce the reaction barrier and enhance ORR activity. Combining experimental and computational results forms the subject of this study.