Oxygen atoms with lone pair electrons have been used to improve the photocatalytic activity of graphitic carbon nitride (g-C₃N₄). Herein, a one-step annealing strategy without co precursor is used to prepare O-doped graphitic carbon nitride (OCN) for photocatalytic degradation of bisphenol A (BPA). The band structure and photocatalytic performance are tuned by simply controlling the heating time. The degradation rate constant for OCN6 is improved by 29 times compared to the original CN. Experimental and the density functional theory calculated results prove that the doped-O is the key factor in promoting photocatalytic performance. The introduced O not only adjusts local electron density, but also decreases the band gap to boost e^- transfer and carrier generation and separation. The elevated conductive band energy is responsible for producing O₂∙^-, which is the dominated reactive oxygen species. This work offers a simple and effective way for the self-modification of metal-free catalysts to resolve environmental issues.

具有孤对电子的氧原子已被用于提高石墨氮化碳（gC ₃ N ₄）的光催化活性。在此，使用无共前体的一步退火策略来制备用于光催化降解双酚 A (BPA) 的 O 掺杂石墨氮化碳 (OCN)。通过简单地控制加热时间来调整能带结构和光催化性能。与原始 CN 相比，OCN6 的降解速率常数提高了 29 倍。实验和密度泛函理论计算结果证明，掺杂O是提高光催化性能的关键因素。引入的 O 不仅可以调整局部电子密度，还可以减小带隙以提高e ^-转移和载流子的产生和分离。升高的导电带能量负责产生 O ₂ ∙ ^-，它是主要的活性氧物质。这项工作为无金属催化剂的自改性以解决环境问题提供了一种简单有效的方法。