Boosting the activity of Fe-Nx moieties in Fe-N-C electrocatalysts via phosphorus doping for oxygen reduction reaction

The Fe-N-C material is a promising non-noble-metal electrocatalyst for oxygen reduction reaction (ORR). Further improvement on the ORR activity is highly desired in order to replace Pt/C in acidic media. Herein, we developed a new-type of single-atom Fe-N-C electrocatalyst, in which Fe-N x active si...

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Bibliographic Details
Published in:Science China materials 2020, Vol.63 (6), p.965-971
Main Authors: Li, Jin-Cheng, Zhong, Hong, Xu, Mingjie, Li, Tao, Wang, Liguang, Shi, Qiurong, Feng, Shuo, Lyu, Zhaoyuan, Liu, Dong, Du, Dan, Beckman, Scott P., Pan, Xiaoqing, Lin, Yuehe, Shao, Minhua
Format: Article
Language:English
Subjects:
Atomic properties
Chemistry and Materials Science
Chemistry/Food Science
Density functional theory
Doping
Electrocatalysts
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Iron
Materials Science
Noble metals
oxygen reduction
Oxygen reduction reactions
P-doping
single-atom catalysts
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Summary:The Fe-N-C material is a promising non-noble-metal electrocatalyst for oxygen reduction reaction (ORR). Further improvement on the ORR activity is highly desired in order to replace Pt/C in acidic media. Herein, we developed a new-type of single-atom Fe-N-C electrocatalyst, in which Fe-N x active sites were modified by P atoms. The half-wave potential of the optimized material reached 0.858 V, which is 23 mV higher than that of the pristine one in a 0.1 mol L −1 HClO 4 solution. Density functional theory (DFT) calculations revealed that P doping can reduce the thermodynamic over potential of the rate determining step and consequently improve the ORR activity.
ISSN:2095-8226
2199-4501
DOI:10.1007/s40843-019-1207-y