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Research on the oxygen reduction reaction (ORR) mechanism of g‐C 3 N 4 doped by Ag based on first‐principles calculations
Author(s) -
Zhang Yuanyuan,
Huang Naibao,
Zhou Feng,
He Qiuchen,
Zhan Su
Publication year - 2018
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.201800099
Subject(s) - chemistry , catalysis , oxygen reduction reaction , doping , platinum , reaction mechanism , density functional theory , oxygen , oxygen reduction , inorganic chemistry , computational chemistry , electrochemistry , electrode , organic chemistry , optoelectronics , physics
Developing non‐platinum composite catalysts has become a hot research topic for the oxygen reduction reaction (ORR). In this study, Ag/g‐C 3 N 4 (the mass ratio of Ag and g‐C 3 N 4 = 3%) catalysts were prepared through a photoreduction method. The catalytic performance of g‐C 3 N 4 was greatly enhanced after Ag doping. The current density of Ag/g‐C 3 N 4 was −21 μA/mm 2 , which is 3 times that of pure g‐C 3 N 4 . 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.