Han Bin, Li Xiangji, Zhang Zhiming, Wang Hongyang, Yu Kaifeng, Liang Ce
Key Laboratory of automobile Materials, Ministry of Education, and College of Materials Science and Engineering, Jilin University, Changchun 130025, People's Republic of China.
Roll Forging Research Institute, Jilin University, Changchun 130025, Jilin, People's Republic of China.
Nanotechnology. 2021 Oct 27;33(3). doi: 10.1088/1361-6528/ac2d4a.
This study reported a novel method to obtain rutile TiOwith excellent photocatalytic activity for degradation of organic dyes. In this study, the concentrated HCl was selected as the inhibitor to make TiOprecursor hardly hydrolyzed at room temperature. And a certain amount of urea was added, which results in TiOprecursor hydrolyzed to produce rutile TiOdue to urea thermally decomposed into alkaline substances to neutralize the concentrated HCl. To further explore the mechanism of excellent photocatalytic performance of rutile TiO, a series of experiments, characterizations, and DFT computations were carried out. Based on DFT computations and experimental results, it could be concluded that the introduction of surface oxygen vacancies was the main reason for the excellent photocatalytic performance of the samples, and the concentration of surface oxygen vacancies would affect the physical and chemical properties of rutile TiO. Meaningfully, this unique and innovative work broke the traditional preconception of rutile TiOand provided a theoretical possibility for rutile TiOto be applied in other research fields.
本研究报道了一种获得具有优异光催化活性以降解有机染料的金红石型TiO的新方法。在本研究中，选择浓盐酸作为抑制剂，使TiO前驱体在室温下难以水解。并且加入了一定量的尿素，由于尿素热分解产生碱性物质中和浓盐酸，导致TiO前驱体水解生成金红石型TiO。为了进一步探究金红石型TiO优异光催化性能的机理，进行了一系列实验、表征和密度泛函理论（DFT）计算。基于DFT计算和实验结果，可以得出结论，表面氧空位的引入是样品具有优异光催化性能的主要原因，并且表面氧空位的浓度会影响金红石型TiO的物理和化学性质。有意义的是，这项独特且创新的工作打破了对金红石型TiO的传统先入之见，并为金红石型TiO应用于其他研究领域提供了理论可能性。
