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Interfaces Decrease the Alkaline Hydrogen-Evolution Kinetics Energy Barrier on NiCoP/Ti3C2T MXene.

Hua-Jie Niu1, Yu Yan1, SiSi Jiang2

  • 1School of Chemistry, Beijing Advanced Innovation Center for Biomedical Engineering, Beihang University, Beijing 100191, China.

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|July 7, 2022
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Summary

Anchoring nickel cobalt phosphide (NiCoP) grains on Ti3C2Tx MXene significantly lowers the energy barrier for hydrogen evolution reaction (HER) catalysis. This interface engineering reduces the kinetics energy barrier by up to 22.1% for efficient green hydrogen production.

Keywords:
MXenehydrogen evolution reactioninterfacekinetics energy barrierscanning electrochemical microscopytransition metal phosphide

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Heterointerfaces are crucial for tuning adsorption energies and reducing kinetic energy barriers (Ea) in catalytic reactions.
  • Transition metal phosphides, like NiCoP, are promising electrocatalysts but can benefit from interface engineering.
  • MXene materials, such as Ti3C2Tx, offer unique properties for catalyst support and synergistic effects.

Purpose of the Study:

  • To investigate the effect of anchoring NiCoP grains on Ti3C2Tx MXene for enhanced hydrogen evolution reaction (HER) kinetics.
  • To quantify the reduction in the kinetics energy barrier (Ea) at the NiCoP@MXene heterointerface.
  • To explore the role of the interface and photothermal effects in improving HER performance.

Main Methods:

  • Synthesis of NiCoP grains anchored on a Ti3C2Tx MXene monolayer.
  • Electrochemical experiments at various temperatures to determine Ea.
  • Scanning electrochemical microscopy (SECM) for localized Ea measurements.
  • Density functional theory (DFT) calculations to elucidate interfacial effects on water dissociation.

Main Results:

  • NiCoP@MXene exhibited a significantly reduced Ea of 31.4 kJ mol⁻¹ for HER, a 22.1% decrease compared to NiCoP nanoparticles (40.3 kJ mol⁻¹).
  • The overpotential for NiCoP@MXene dramatically decreased from 71 mV to 4 mV at 10 mA cm⁻² with increasing temperature (25 °C to 65 °C).
  • SECM and DFT calculations confirmed the interface effectively reduces the energy barrier for water dissociation by 16.0%, consistent with macro and micro/nano scale studies (16.0-22.1% reduction).
  • The photothermal effect of MXene under visible-near-infrared light was observed to increase catalyst temperature, aiding energy savings.

Conclusions:

  • The heterointerface between NiCoP and Ti3C2Tx MXene effectively lowers the kinetics energy barrier for alkaline HER.
  • Synergistic effects at the interface, confirmed by electrochemical, microscopy, and theoretical studies, enhance catalytic activity.
  • The photothermal properties of MXene offer potential for energy-efficient hydrogen production under solar irradiation.