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金红石型TiO₂对挥发性有机化合物降解的面依赖光催化行为:原位漫反射红外傅里叶变换光谱和密度泛函理论研究

Facet-Dependent Photocatalytic Behavior of Rutile TiO for the Degradation of Volatile Organic Compounds: In Situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Density Functional Theory Investigations.

作者信息

Zhou Wenjie, Chen Fang, Li Mengmeng, Cheng Qin, Deng Juan, Wang Pengcheng, Cai Mengdie, Sun Song

机构信息

School of Chemistry and Chemical Engineering, Anhui University, Hefei, Anhui 230601, China.

出版信息

Langmuir. 2024 Jan 30;40(4):2120-2129. doi: 10.1021/acs.langmuir.3c03015. Epub 2024 Jan 12.

DOI:10.1021/acs.langmuir.3c03015
PMID:38215485
Abstract

In this study, a custom rutile titanium dioxide (TiO) photocatalyst with a single exposed surface was utilized to investigate the facet-dependent photocatalytic mechanism of toluene. The degradation of toluene was dynamically monitored using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) technology coupled with theoretical calculations. The findings demonstrated that the photocatalytic degradation rate on the TiO (001) surface was nearly double that observed on the TiO (110) surface. This remarkable enhancement can be attributed to the heightened stability in the adsorption of toluene molecules and the concurrent reduction in the energy requirement for the ring-opening process of benzoic acid on the TiO (001) surface. Moreover, the TiO (001) surface generated a greater number of reactive oxygen species (ROS), thereby promoting the separation of photogenerated charge carriers and concurrently diminishing their recombination rates, amplifying the efficiency of photocatalysis. This research provides an innovative perspective for a more comprehensive understanding of the photocatalytic degradation mechanism of TiO and presents promising prospects for significant applications in environmental purification and energy fields.

摘要

在本研究中,使用具有单一暴露表面的定制金红石型二氧化钛(TiO₂)光催化剂来研究甲苯的晶面依赖性光催化机理。采用漫反射红外傅里叶变换光谱(DRIFTS)技术结合理论计算对甲苯的降解进行动态监测。研究结果表明,TiO₂(001)表面上的光催化降解速率几乎是TiO₂(110)表面上观察到的降解速率的两倍。这种显著的增强可归因于甲苯分子吸附稳定性的提高以及TiO₂(001)表面上苯甲酸开环过程所需能量的同时降低。此外,TiO₂(001)表面产生了更多的活性氧物种(ROS),从而促进了光生电荷载流子的分离,同时降低了它们的复合率,提高了光催化效率。本研究为更全面地理解TiO₂的光催化降解机理提供了创新视角,并在环境净化和能源领域的重大应用中展现出广阔前景。

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