A series of P₂O₅ catalyzed covalent triazine-based framework (pCTF) were constructed. The pCTF polymerized from terephthalamide at 400 °C exhibited excellent NH₃ gas sensing ability with high response value, sensitivity and selectivity at room temperature. Nitrogen atoms from triazine rings served as the active sites for NH₃ adsorption, and then lead to electronic structure changing of pCTF, which resulted in a resistance decreasing of the sensor prepared by pCTF. In control experiments, the NH₃ sensing response value increased with the increasing of pyridinic nitrogen contents of the CTFs, which confirmed again that nitrogen atoms from triazine rings played the key role for the excellent NH₃ sensing ability. The density functional theory (DFT) calculations were employed to study the adsorptions of NH₃ and CO on a model molecule of pCTF fragment which contained six benzene rings and six triazine rings. The computational results indicated that the band gap of the model molecule of pCTF fragment narrowed slightly after NH₃ adsorption and 0.024 of electrons transferred from NH₃ to the model molecule of pCTF fragment according to the Mulliken charge distribution at 298.15 K. This results agreed well with the experimental results in which the sensor resistance decreased after NH₃ molecule absorbed on.

构建了一系列P ₂ O ₅催化的基于共价三嗪的骨架（pCTF）。由对苯二甲酰胺在400°C聚合而成的pCTF表现出出色的NH ₃气敏能力，在室温下具有较高的响应值，灵敏度和选择性。来自三嗪环的氮原子充当NH ₃吸附的活性位，然后导致pCTF的电子结构发生变化，从而导致pCTF制备的传感器的电阻减小。在对照实验中，随着CTF中吡啶氮含量的增加，对NH _3的感应响应值也随之增加，这再次证明三嗪环中的氮原子对出色的NH ₃起着关键作用。感知能力。利用密度泛函理论（DFT）计算研究了NH ₃和CO在pCTF片段模型分子上的吸附，该模型分子包含六个苯环和六个三嗪环。计算结果表明，根据298.15 K的Mulliken电荷分布，NH ₃吸附后pCTF片段模型分子的带隙略微变窄，并且从NH ₃转移到pCTF片段模型分子的电子为0.024。实验结果表明，吸收NH ₃分子后传感器电阻降低。