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Superoxide Decay Pathways in Oxygen Reduction Reaction on Carbon‐Based Catalysts Evidenced by Theoretical Calculations
Author(s) -
Li Yuhang,
Qiao Zhiwei,
Cao Yonghai,
Wang Hongjuan,
Liang Hong,
Yu Hao,
Peng Feng
Publication year - 2019
Publication title -
chemsuschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.412
H-Index - 157
eISSN - 1864-564X
pISSN - 1864-5631
DOI - 10.1002/cssc.201802601
Subject(s) - disproportionation , catalysis , chemistry , superoxide , oxygen , electrochemistry , carbon fibers , photochemistry , inorganic chemistry , materials science , electrode , organic chemistry , composite number , composite material , enzyme
Superoxide decay behavior is evaluated by contrastive potential energy surface analyses from theoretical calculations. The presence of carbon surfaces enhances the superoxide decay through disproportionation instead of electroreduction, which is a non‐electrochemical reaction that impedes the increase in energy efficiency for relevant energy conversion applications. Nitrogen doping of carbon effectively retards the disproportionation by influencing the oxygen stretching vibration and changing the proton‐coupled electron transfer trend.