Pu Hong, Tian Congxue, Zhang Hui
College of Chemistry and Chemical Engineering, Southwest Petroleum University, Chengdu 610500, China.
Vanadium and TitaniumResource Comprehensive Utilization Key Laboratory of Sichuan Province, Panzhihua University, Panzhihua 617000, China.
ACS Omega. 2024 Dec 18;9(52):51611-51622. doi: 10.1021/acsomega.4c09262. eCollection 2024 Dec 31.
At present, it is still difficult to significantly reduce the bandgap of TiO to promote its visible light absorption. Herein, we first synthesized sulfur-doped TiO from industrial TiOSO and then successfully synthesized red TiO nanoparticles by calcination with the N source melamine. Theoretical calculations show that predoped S could markedly decrease the formation energy and substitution energy of N-doped TiO, especially in high N/Ti ratios. The red TiO nanoparticles have a low bandgap (2.10 eV) and exhibit remarkable visible light absorption capacity. Electron paramagnetic resonance measurements show that the red TiO has abundant oxygen vacancies and Ti. The synergetic effect of Ti, oxygen vacancies, and nonmetallic element doping leads to the bandgap of TiO significantly being reduced. In addition, the red TiO exhibits great photocatalytic activity in the visible light degradation of rhodamine B (Rh.B) and methylene blue (MB). This study provides a new idea for the preparation of TiO with high visible light absorption.
目前，仍难以显著降低TiO的带隙以促进其可见光吸收。在此，我们首先由工业级TiOSO合成了硫掺杂的TiO，然后通过与氮源三聚氰胺煅烧成功合成了红色TiO纳米颗粒。理论计算表明，预掺杂的S可显著降低氮掺杂TiO的形成能和取代能，尤其是在高N/Ti比的情况下。红色TiO纳米颗粒具有低带隙（2.10 eV）并表现出显著的可见光吸收能力。电子顺磁共振测量表明，红色TiO具有丰富的氧空位和Ti。Ti、氧空位和非金属元素掺杂的协同作用导致TiO的带隙显著降低。此外，红色TiO在罗丹明B（Rh.B）和亚甲基蓝（MB）的可见光降解中表现出优异的光催化活性。本研究为制备具有高可见光吸收的TiO提供了新思路。
