In this study, a new type of carbon and oxygen co-doped g-C₃N₄ (PACN) was successfully synthesized by a one-step thermal polymerization method for the photodegradation of Bisphenol A (BPA) and selective oxidation of toluene to benzaldehyde. The degradation rate of BPA was 23.58 times higher than that of pristine g-C₃N₄ and the efficiency benzaldehyde formation rate without the need of any solvent increased to 5.43 times that of g-C₃N₄. At the same time, the band structure calculation of its simulated structure is performed by DFT, which shows that the introduction of oxygen linking band can adjust its band structure and obtain a smaller band gap. In addition, the PACN displays an enhanced photocatalytic degradation of BPA under the long wavelength (λ ≥ 550 nm) and NIR light irradiation (λ ≥ 760 nm), which indicates that the synthesized materials have a broad spectrum of photocatalytic activity. According to the results of secondary ion mass spectrometry (SIMS) and nuclear magnetic resonance spectroscopy (NMR), C atoms and O atoms were introduced into the original g-C₃N₄ skeleton. In addition, the intermediate products were detected by mass spectrometry (HPLC-MS), and the BPA degradation pathway was proposed. A feasible photocatalytic reaction mechanism was also proposed.

在这项研究中，通过一步热聚合方法成功地合成了一种新型的碳和氧共掺杂的gC ₃ N ₄（PACN），用于双酚A（BPA）的光降解和甲苯的选择性氧化为苯甲醛。BPA的降解率是原始gC ₃ N _4的23.58倍，不需要任何溶剂的苯甲醛生成效率提高到gC ₃ N _4的5.43倍。同时，通过DFT对模拟结构的能带结构进行了计算，结果表明引入氧连接带可以调节其能带结构，并获得较小的带隙。此外，PACN在长波长（λ≥550 nm）和近红外光（λ≥760 nm）照射下显示出增强的BPA光催化降解性能，这表明合成的材料具有广谱的光催化活性。根据二次离子质谱（SIMS）和核磁共振波谱（NMR）的结果，将C原子和O原子引入原始gC ₃ N _4中骨架。此外，通过质谱（HPLC-MS）检测中间产物，并提出了双酚A降解途径。还提出了可行的光催化反应机理。