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Related Experiment Video

Updated: Feb 3, 2026

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions
06:32

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions

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C2N: an excellent catalyst for the hydrogen evolution reaction.

Song Yu1, Yong-Chao Rao, Hong-Hui Wu

  • 1Department of Physics, Faculty of Science, Ningbo University, Ningbo-315211, P. R. China. duanxiangmei@nbu.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|November 2, 2018
PubMed
Summary

Metal-free C2N shows promising catalytic activity for the hydrogen evolution reaction (HER), comparable to platinum. Applying tensile strain or doping can further enhance its performance, offering a potential alternative to precious metal catalysts.

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Predicting Catalyst Extrudate Breakage Based on the Modulus of Rupture
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Predicting Catalyst Extrudate Breakage Based on the Modulus of Rupture

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • The hydrogen evolution reaction (HER) is crucial for clean energy technologies.
  • Platinum-based catalysts are highly effective but expensive.
  • Developing cost-effective and efficient alternatives is a key research goal.

Purpose of the Study:

  • To investigate the HER catalytic performance of metal-free C2N.
  • To explore strategies for enhancing the catalytic activity of C2N.
  • To assess the potential of C2N-based materials as alternatives to platinum catalysts.

Main Methods:

  • First-principles calculations were employed to study hydrogen adsorption on C2N.
  • Tensile strain effects on C2N were simulated.
  • Hybrid structures of C2N with graphene were analyzed.
  • The impact of electron and hole doping on graphene was investigated.
  • Manganese (Mn) atom anchoring into C2N was computationally explored.

Main Results:

  • Metal-free C2N exhibits competitive hydrogen adsorption free energy (ΔGH*) at specific coverages (0.10 eV at 3/6 and 0.07 eV at 4/6).
  • Tensile strain can tune ΔGH* to zero, with optimal strain dependent on hydrogen concentration.
  • Coupling C2N with graphene (around 2% strain) enhances HER performance.
  • Catalytic activity of C2N-graphene hybrids is tunable via graphene doping.
  • Anchoring Mn atoms into C2N results in excellent catalytic properties (ΔGH* = -0.04 eV).

Conclusions:

  • C2N-based catalysts demonstrate significant potential for the hydrogen evolution reaction.
  • Strategies like tensile strain, graphene hybridization, doping, and metal atom anchoring can effectively enhance catalytic performance.
  • These findings suggest a promising pathway towards developing highly active, easily synthesized, metal-free, or non-precious metal alternatives to platinum for HER.