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Tuning the interfacial electric field via potential-zero-charge engineering for boosted alkaline hydrogen evolution.

Zhicong Huang1, Zixian Duan1, Linwei Yuan1

  • 1School of Physics, Central South University Changsha 410083 China fujunwei@csu.edu.cn.

Chemical Science
|July 14, 2026
PubMed
Summary

Researchers modified cobalt disulfide (CoS2) to enhance the alkaline hydrogen evolution reaction (HER). This strategy tunes the interfacial electric field, significantly reducing the energy needed for water splitting and boosting hydrogen production efficiency.

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Area of Science:

  • Electrochemistry
  • Materials Science
  • Catalysis

Background:

  • Water dissociation is the rate-limiting step in alkaline hydrogen evolution reaction (HER).
  • The interfacial electric field significantly influences water dissociation kinetics.
  • Precise control over the interfacial electric field for HER enhancement remains a challenge.

Purpose of the Study:

  • To develop a molecular modification strategy for tuning the interfacial electric field.
  • To utilize the potential of zero charge (PZC) as a descriptor for modulating interfacial properties.
  • To enhance the alkaline HER performance of CoS2 catalysts.

Main Methods:

  • Molecular modification of CoS2 using pyridine sulfonic acid.
  • Potential-dependent surface charge analysis to determine PZC shifts.
  • In situ Raman spectroscopy to probe interfacial water behavior.
  • Density functional theory (DFT) calculations to investigate reaction mechanisms.

Main Results:

  • Pyridine sulfonic acid anchored onto CoS2, inducing interfacial charge redistribution and a positive PZC shift of 40 mV.
  • Observed changes in water vibrational modes indicate a reorganized hydrogen-bond network.
  • DFT calculations confirmed a reduced water dissociation barrier from 0.73 to 0.51 eV.
  • The modified CoS2 catalyst achieved an ultralow overpotential of 23.3 mV at 10 mA cm-2 and a reduced Tafel slope of 54.6 mV dec-1.

Conclusions:

  • The potential of zero charge (PZC) is an effective descriptor for regulating interfacial electric fields.
  • Molecular modification strategy successfully enhanced the alkaline HER performance.
  • This approach offers a new pathway for designing efficient electrocatalysts for hydrogen production.