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

Dong In Jeong, Hyung Wook Choi, Seongwon Woo, Jung Hyeon Yoo, Donghyeon Kang, Seong Min Kim, Byungkwon Lim, Jung Ho Kim, Sang Woo Kim, Bong Kyun Kang, Dae Ho Yoon

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)16704-16713
Number of pages10
JournalJournal of Materials Chemistry A
Volume10
Issue number31
DOIs
Publication statusPublished - 2022 Jul 13

Bibliographical note

Publisher Copyright:
© 2022 The Royal Society of Chemistry.

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • Renewable Energy, Sustainability and the Environment
  • General Materials Science

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