Real-Time Mimicking the Electronic Structure of N-Coordinated Ni Single Atoms: NiS-Enabled Electrochemical Reduction of CO2 to CO

Man Ho Han, Dongjin Kim, Sangkuk Kim, Seung Ho Yu, Da Hye Won, Byoung Koun Min, Keun Hwa Chae, Woong Hee Lee, Hyung Suk Oh

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)


N-coordinated Ni single atom (Ni–NC) is one of the best catalysts for the CO2 reduction reaction (CO2RR) to produce CO. However, no bulk Ni materials have exhibited high catalytic activity for CO2RR. Herein, it is shown that NiS nanoparticles mimicking the electronic structure of Ni–NC in real-time enhance the CO2RR activity in a zero-gap electrolyzer. In situ/Operando X-ray absorption spectroscopy suggests that under a cathodic potential, the electronic structure of NiS changes similarly to that of Ni–NC and modulated Ox–zSy ligands with similar properties to Ni ligands, resulting in a mimicked electronic structure. However, NiS exhibits low stability owing to the loss of S species, key to mimicking N ligands. The future challenges in finding a stable mimicked electronic structure are discussed. Moreover, this work provides new insights into the development of catalysts from materials that have not generally been considered previously.

Original languageEnglish
Article number2201843
JournalAdvanced Energy Materials
Issue number35
Publication statusPublished - 2022 Sept 15

Bibliographical note

Funding Information:
This work was supported by the Korea Institute of Science and Technology (KIST) institutional program and “Carbon to X Project” (Project No. 2020M3H7A1098229) through the National Research Foundation (NRF) funded by the Ministry of Science and ICT, Republic of Korea, the National Research Council of Science & Technology (NST) grant by the Korean government (MSIT) (No. CAP21011‐100), and National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF‐2021R1A2C2093467).

Publisher Copyright:
© 2022 The Authors. Advanced Energy Materials published by Wiley-VCH GmbH.


  • carbon dioxide
  • carbon monoxide
  • electrochemical reduction
  • nickel single atoms
  • nickel sulfide

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)


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