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The Precision Defect Engineering with Nonmetallic Element Refilling Strategy in g-C3 N4 for Enhanced Photocatalytic

Yujie Liu1, Muhammad Tayyab1, Wenkai Pei2,3

  • 1Key Laboratory for Advanced Materials, Shanghai Engineering Research Center for Multi media Environmental Catalysis and Resource Utilization, Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Feringa Nobel Prize Scientist Joint Research Center, School of Chemistry and Molecular Engineering, East China University of Science & Technology, Shanghai, 200237, P. R. China.

Small (Weinheim an Der Bergstrasse, Germany)
|February 25, 2023
PubMed
Summary

This study introduces a novel defect engineering strategy for enhanced hydrogen production. By precisely controlling heteroatom introduction sites, researchers achieved a significant boost in catalytic activity for efficient hydrogen evolution.

Keywords:
H 2 evolutionheteroatom-refillinginternal electric fieldnitrogen vacanciesphotocatalysis

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Area of Science:

  • Materials Science
  • Catalysis
  • Photochemistry

Background:

  • Traditional defect engineering and doping for hydrogen evolution lack control and efficiency.
  • Uncontrollable modification processes limit the effectiveness of current strategies.

Purpose of the Study:

  • To develop a defect-induced heteroatom refilling strategy for precisely controlled modification of carbon nitride.
  • To enhance hydrogen (H2) evolution activity through controlled defect engineering.

Main Methods:

  • Synthesized heteroatom-introduced carbon nitride via a defect-induced heteroatom refilling strategy.
  • Utilized Density Functional Theory (DFT) calculations to analyze adsorption and dissociation capacities.
  • Investigated the impact of B, P, and S refilling on catalytic performance.

Main Results:

  • Heteroatom refilling demonstrated superior H2O adsorption and dissociation compared to traditional doping.
  • Calculations revealed an optimal H2 production pathway due to refilling.
  • The best sample achieved a hydrogen production rate of 20.9 mmol g⁻¹ h⁻¹.
  • Large internal electric field strength facilitated fast electron transfer.

Conclusions:

  • Controlled defect engineering via heteroatom refilling offers a reliable strategy for photocatalyst modification.
  • This approach provides a universal modification strategy for heteroatom and co-catalyst systems in H2 production.
  • The study offers clear insights into controlled defect engineering for photocatalysts.