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<p>Non-metallic doping and defect introduction are effective strategies for improving the photocatalytic activity of carbon nitride; however, their synergistic mechanism has not been fully clarified. In this study, carbon nitride with carbon vacancies (CVCN) is fabricated by calcination under a nitrogen atmosphere with a simple molten salt method, and the B doping level was adjusted to optimize the photocatalytic performance. CVCN-1.0B demonstrated the highest hydrogen evolution performance in visible-light-driven simulated seawater splitting, yielding a hydrogen evolution rate of 6.69&#xa0;mmol&#xa0;g<sup>−1</sup>&#xa0;h<sup>−1</sup>, which is 10.8 times higher than that of CN. Characterization and DFT calculations reveal that the simultaneous introduction of B doping and carbon vacancies in carbon nitride effectively modulates the electronic structure to enhance the photocatalytic activity. Moreover, the excited photogenerated electrons are transferred stepwise via the pathway of carbon vacancies (V<sub>C</sub>) → N → C → B. This work provides a novel strategy for synergistically regulating electron transfer pathways and enhancing photocatalytic activity through the combined use of doping engineering and defect engineering.</p>

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Tailoring electron transfer pathways via carbon vacancy and boron doping in carbon nitride for upgraded photocatalytic hydrogen production

  • 期刊论文

  • 发表日期：

    2026年4月4日

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  • Shiyi Liu,
  • Qian Yuan,
  • Hongyu Chen,
  • Ning Li,
  • Qing Yuan,
  • Yi Liu,
  • Junxi Pang,
  • Xuecheng Liu

摘要

Non-metallic doping and defect introduction are effective strategies for improving the photocatalytic activity of carbon nitride; however, their synergistic mechanism has not been fully clarified. In this study, carbon nitride with carbon vacancies (CVCN) is fabricated by calcination under a nitrogen atmosphere with a simple molten salt method, and the B doping level was adjusted to optimize the photocatalytic performance. CVCN-1.0B demonstrated the highest hydrogen evolution performance in visible-light-driven simulated seawater splitting, yielding a hydrogen evolution rate of 6.69 mmol g−1 h−1, which is 10.8 times higher than that of CN. Characterization and DFT calculations reveal that the simultaneous introduction of B doping and carbon vacancies in carbon nitride effectively modulates the electronic structure to enhance the photocatalytic activity. Moreover, the excited photogenerated electrons are transferred stepwise via the pathway of carbon vacancies (VC) → N → C → B. This work provides a novel strategy for synergistically regulating electron transfer pathways and enhancing photocatalytic activity through the combined use of doping engineering and defect engineering.