期刊论文

Wang, D;Wang, Y

英文

NEW JOURNAL OF CHEMISTRY

1144-0546

2023

47

43

20151-20156

10.1039/d3nj03279e

This work was supported by the National Natural Science Foundation of China (No. 11972157 and 12104516) and Open Fund of Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education NJ2022002 (INMD-2022M09). [11972157, 12104516]; National Natural Science Foundation of China [NJ2022002, INMD-2022M09]; Open Fund of Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education

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The design of alternative platinum-based electrode materials is very important for oxygen reduction reactions (ORRs) in fuel cells. A comparative study of a series of non-metal doped Fe–C2N electrodes on the oxygen reduction reaction was carried out by first-principles calculations. The results showed that the introduction of non-metal atoms had a variety of synergistic effects on regulating the charge redistribution of Fe active sites. Among these new electrode materials, FeC–C2N showed the most prominent ORR performance, effect...