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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Identification of the active structure for oxygen reduction in Mn-N-C single-atom catalysts via constant-potential
Yunlu Chen1, Yuhao Wang1, Shurui Gao1
1Jiangsu Collaborative Innovation Centre of Biomedical Functional Materials, Ministry of Education Key Laboratory of NSLSCS, School of Chemistry and Materials Science, Nanjing Normal University, No. 1 Wenyuan Road, Nanjing 210023, China. chenzhe@njnu.edu.cn.
None:
Through constant-potential first-principles calculations and microkinetic modelling, the pristine pyridinic-type MnN4 (py-MnN4) moiety of Mn-N-C single-atom catalysts is identified to be preferentially covered by an *OH intermediate, forming a pentacoordinate moiety (py-MnN4-OH) during acidic oxygen reduction. This moiety is responsible for the catalytic activity and is immune to SCN- poisoning.
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