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Engineering Ni-N2O2 Coordination in Single-Atom Catalysts for Alkaline Hydrogen Evolution.

Rongwei Xu1, Guangxu Yao1, Shicheng Xu1

  • 1The school of Chemistry and Chemical Engineering, State Key Laboratory of Power Transmission Equipment and System Security, Chongqing University, 174 Shazheng Street, Shapingba District, Chongqing City 400044, P. R. China.

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Researchers engineered a novel nickel-nitrogen-oxygen (Ni-N2O2) single-atom catalyst (SAC) on carbon nanofibers. This catalyst shows excellent performance for hydrogen evolution reactions in alkaline solutions.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Single-atom catalysts (SACs) offer high atom utilization efficiency for electrocatalysis.
  • Tailoring the coordination environment of metal atoms in SACs is crucial for optimizing catalytic activity.
  • Traditional nickel-based SACs often feature Ni-N4 coordination, limiting their potential.

Purpose of the Study:

  • To design and synthesize a novel single-atom catalyst with a unique Ni-N2O2 coordination environment.
  • To investigate the electrocatalytic performance of the new catalyst for the hydrogen evolution reaction (HER).
  • To demonstrate the effectiveness of coordination engineering in enhancing SACs for alkaline water splitting.

Main Methods:

  • Coordination engineering strategy to immobilize nickel atoms on nitrogen-doped carbon nanofibers (NCNFs).
  • Characterization of the catalyst's structure using single-crystal X-ray diffraction and X-ray absorption spectroscopy.
  • Electrochemical testing of the Ni-N2O2/NCNFs catalyst for HER in 1.0 M KOH.

Main Results:

  • Successfully synthesized a novel Ni-N2O2/NCNFs catalyst with atomically dispersed nickel atoms.
  • The Ni-N2O2 coordination environment was confirmed by advanced characterization techniques.
  • The catalyst achieved a low overpotential of 37 mV at 10 mA cm-2 for HER in alkaline media.

Conclusions:

  • The Ni-N2O2 coordination configuration significantly enhances HER activity compared to traditional Ni-N4 sites.
  • Coordination engineering is a viable strategy for designing highly efficient and stable SACs.
  • This work provides valuable insights for developing advanced catalysts for alkaline water splitting and other electrochemical applications.