期刊
CHEMICAL ENGINEERING JOURNAL
卷 457, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2022.141146
关键词
Defect engineering; Nitrogen vacancies; PhotocatalyticN2 fixation
Nitrogen defect engineering in g-C3N4 enhances photocatalytic performance by narrowing the band gap, improving light-harvesting efficiency, accelerating carrier separation and transfer, and providing more active centers. The optimized g-C3N4-N3C-0.3 shows superior photocatalytic N2 fixation and H2O2 production rates, with high apparent quantum efficiency. DFT calculations demonstrate that g-C3N4-N3C facilitates the activation and reduction of *N2 and *O2 compared to pure g-C3N4.
Nitrogen defect engineering has been confirmed to be an effective strategy to improve photocatalytic perfor-mance, and nitrogen vacancies at different positions show different effects on photocatalytic performance. Here, we prepare g-C3N4 with three-coordinate nitrogen (N3C) vacancies (g-C3N4-N3C) by a simple in situ copyrolysis method. The introduction of N3C vacancies helps to narrow the band gap, enhance the light-harvesting efficiency, accelerate the separation and transfer of photogenerated carriers, and provide more active centers. Interestingly, g-C3N4-N3C exhibits photocatalytic performance for the production of NH3 and H2O2. The optimized g-C3N4-N3C- 0.3 exhibits the best photocatalytic N2 fixation rate (1915 mu mol h-1 g-1) and photocatalytic H2O2 production rate (1098 mu mol h-1 g-1), with corresponding apparent quantum efficiency (AQE) of 7.79 % and 12.43 % at lambda = 370 nm, respectively, which are superior to most known photocatalysts. Meanwhile, density functional theory (DFT) calculations indicate that g-C3N4-N3C makes the activation and further reduction of *N2 and *O2 more ther-modynamically favorable than pure g-C3N4. This work deepens the understanding of the role of nitrogen defect engineering in enhancing the photocatalytic performance of g-C3N4, and provides a new way for the design and preparation of efficient and stable photocatalysts.
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