论文部分内容阅读
以钛酸四丁酯和三乙醇胺为主要原料,采用钛溶胶水热合成方法,制备氮掺杂锐钛矿型纳米TiO_2。利用XRD、DRS对其进行表征,以甲基橙为目标物,研究产物的光降解活性。实验结果表明,N掺杂造成了TiO_2的晶格缺陷,禁带宽度减小,光响应范围红移,光催化活性增强。从第一性原理出发,结合密度泛函理论计算,探讨N掺杂TiO_2的电子结构,发现其能带结构中出现了杂质能级,这可以很好地解释N掺杂TiO_2光响应波长范围红移和光降解效果优于P25的实验观测结果。
Tetrabutyl titanate and triethanolamine as the main raw materials, the use of titanium sol hydrothermal synthesis method, the preparation of nitrogen-doped anatase nano-TiO 2. The product was characterized by XRD and DRS. Methyl orange was used as the target to study the photodegradation activity of the product. The experimental results show that N doping results in the lattice defects of TiO 2, the forbidden band width decreases, the photoresponse range shifts red and the photocatalytic activity increases. Based on the first principle, combined with density functional theory calculations, the electronic structure of N-doped TiO_2 was explored and its impurity level appeared in the band structure. This can well explain the effect of N-doped TiO_2 on the wavelength response of red The photodegradation and photodegradation results were better than the experimental results of P25.