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Electronic structure modification and N-doped carbon shell nanoarchitectonics of Ni3FeN@NC for overall water splitting performance evaluation

Journal Article


Abstract


  • Improvement of the sluggish kinetics of the overall water splitting catalyst through N-doping and the formation of a carbon shell makes it possible to achieve carbon neutrality and to synthesize catalysts that can replace noble metals. Surprisingly, in Ni3FeN@NC catalysts, transition metals received an extra electron due to doping with the nitrogen element, and thus the electron distribution probability at the Fermi energy level increased. In addition, pyridinic-N in the N-doped carbon shell can contribute to the improvement of catalyst performance. Density functional theory (DFT) calculations demonstrated the electrical performance by specifying the model of Ni3FeN@NC and were able to elucidate the mechanism of the catalytic reaction (OER and HER). The OER and HER overpotentials of the synthesized Ni3FeN@NC were confirmed to be 246 mV and 181 mV at 10 mV cm���2 in 1.0 M KOH. It was proved that 98% of the performance was maintained even in overall water splitting performed for 24 h.

Publication Date


  • 2022

Citation


  • Jeong, D. I., Choi, H. W., Woo, S., Yoo, J. H., Kang, D., Kim, S. M., . . . Yoon, D. H. (2022). Electronic structure modification and N-doped carbon shell nanoarchitectonics of Ni3FeN@NC for overall water splitting performance evaluation. Journal of Materials Chemistry A, 10(31), 16704-16713. doi:10.1039/d2ta04817e

Scopus Eid


  • 2-s2.0-85135562431

Start Page


  • 16704

End Page


  • 16713

Volume


  • 10

Issue


  • 31

Place Of Publication


Abstract


  • Improvement of the sluggish kinetics of the overall water splitting catalyst through N-doping and the formation of a carbon shell makes it possible to achieve carbon neutrality and to synthesize catalysts that can replace noble metals. Surprisingly, in Ni3FeN@NC catalysts, transition metals received an extra electron due to doping with the nitrogen element, and thus the electron distribution probability at the Fermi energy level increased. In addition, pyridinic-N in the N-doped carbon shell can contribute to the improvement of catalyst performance. Density functional theory (DFT) calculations demonstrated the electrical performance by specifying the model of Ni3FeN@NC and were able to elucidate the mechanism of the catalytic reaction (OER and HER). The OER and HER overpotentials of the synthesized Ni3FeN@NC were confirmed to be 246 mV and 181 mV at 10 mV cm���2 in 1.0 M KOH. It was proved that 98% of the performance was maintained even in overall water splitting performed for 24 h.

Publication Date


  • 2022

Citation


  • Jeong, D. I., Choi, H. W., Woo, S., Yoo, J. H., Kang, D., Kim, S. M., . . . Yoon, D. H. (2022). Electronic structure modification and N-doped carbon shell nanoarchitectonics of Ni3FeN@NC for overall water splitting performance evaluation. Journal of Materials Chemistry A, 10(31), 16704-16713. doi:10.1039/d2ta04817e

Scopus Eid


  • 2-s2.0-85135562431

Start Page


  • 16704

End Page


  • 16713

Volume


  • 10

Issue


  • 31

Place Of Publication