Graphitic carbon nitride (g-C₃N₄) with varied oxygen doping levels was fabricated to investigate the quantitative relationship between oxygen-containing groups and activity of catalytic ozonation employing atrazine as a model pollutant. The regulation on both the types and the amounts of different oxygen-containing groups (CO/CO/COOH) were achieved by simply varying the dosage of the oxalate precursor. The regression analysis showed that the increase of CO/CO groups within appropriate range promoted the catalytic activity for ozonation, while the presence of carboxyl groups induced by excessive oxygen doping exhibited adverse effect. Moreover, the corresponding quantitative structure-activity relationships were established. The electron-rich O centers of oxygen doped g-C₃N₄ (CO/CO) were identified as the active sites for catalytic ozonation, and the enhanced adsorption of ozone on the active sites were substantiated by DFT calculations. This study is believed to shed light upon the roles of different oxygen-containing functional groups in catalytic ozonation by carbonaceous catalysts.

制备了具有不同氧掺杂水平的石墨碳氮化物（gC ₃ N ₄），以研究含at去津为模型污染物的含氧基团与催化臭氧氧化活性之间的定量关系。通过简单地改变草酸酯前体的剂量就可以实现对不同含氧基团（C O / C O / COOH）的类型和数量的调节。回归分析表明，C O / C的增加适当范围内的O基团促进了臭氧化的催化活性，而过量氧掺杂引起的羧基基团的存在则表现出不利的影响。此外，建立了相应的定量构效关系。掺杂氧的gC ₃ N ₄（C O / C O）的富电子O中心被确定为催化臭氧化的活性位点，并且通过DFT计算证实了臭氧在活性位点上的增强吸附。相信该研究揭示了含碳官能团在催化臭氧氧化中不同含氧官能团的作用。