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Synergistic Multiple Charge Carrier Transfer Pathways for High-Efficiency Visible-Light-Driven Hydrogen Evolution.

Xiaobo Han1,2,3, Hengbin Zhao1,2,3, Huixuan Wang1,2,3

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Small (Weinheim an Der Bergstrasse, Germany)
|November 7, 2025
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Ternary heterostructures like In2O3/CdS/NiSe2 enhance photocatalytic hydrogen evolution. Optimizing cocatalyst loading creates multiple charge transfer pathways, significantly boosting efficiency for clean energy production.

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Area of Science:

  • Materials Science
  • Photocatalysis
  • Renewable Energy

Background:

  • Step-scheme (S-scheme) heterojunctions improve visible-light photocatalysis by enhancing charge transfer.
  • Ternary semiconductor integration with strategic cocatalyst loading is key for efficient photocatalytic hydrogen evolution.
  • Understanding charge transfer pathways is crucial for designing advanced photocatalytic materials.

Purpose of the Study:

  • To synthesize and investigate In2O3/CdS/NiSe2 and In2O3/NiSe2/CdS heterostructures.
  • To elucidate the S-scheme charge transfer mechanisms and identify the role of cocatalyst loading order.
  • To evaluate the photocatalytic hydrogen evolution efficiency of the synthesized materials under visible light.

Main Methods:

  • Sequential deposition of CdS and NiSe2 onto In2O3 nanosheets.
  • In situ irradiated X-ray photoelectron spectroscopy (XPS) and electron paramagnetic resonance (EPR) for charge transfer analysis.
  • Charge density difference analysis, photoelectrochemical measurements, and Gibbs free energy calculations.

Main Results:

  • Confirmed S-scheme charge transfer in both In2O3/CdS and In2O3/NiSe2/CdS systems.
  • In2O3/CdS/NiSe2 exhibited three charge transfer pathways, enhancing electron migration compared to In2O3/NiSe2/CdS (one pathway).
  • In2O3/CdS/NiSe2 achieved a hydrogen evolution rate of 16,797.1 µmol g⁻¹, nearly four times higher than In2O3/NiSe2/CdS (3,902.4 µmol g⁻¹).

Conclusions:

  • The loading order of cocatalysts significantly impacts charge transfer pathways and photocatalytic efficiency.
  • Multiple charge transfer pathways in In2O3/CdS/NiSe2, coupled with optimal Ni adsorption properties, enhance hydrogen evolution.
  • This study provides a framework for designing efficient ternary heterojunctions for visible-light-driven photocatalysis.