UV-visible diffuse reflection spectrum, PL spectroscopy, In situ FTIR and FTIR spectrum, SEM and TEM images of the prepared catalyst, structure file of MIL-101Cr/TiO2

Solid-state UV-visible diffuse reflectance spectroscopy (UV-vis DRS) measures the light absorption performance and bandgap width of catalysts. In this study, the TU-1901 instrument model was utilized for these measurements.Fourier-transform infrared spectroscopy (FT-IR) was employed to analyze the different characteristic functional groups, molecular structures, and chemical compositions of the samples. The Nicolet-6700 infrared spectrometer was used in this research.Photoluminescence spectroscopy test (PL) to analyze the complexation process of photogenerated carriers. The instrument model used in this thesis is PELS-55.ElectronScanning Electron Microscopy (SEM) is used to analyze the surface morphology, particle size, and other features of the material. The equipment used in this study was the Ultra Plus.Transmission Electron Microscopy (TEM) is employed to analyze the microscopic morphology and structure of the material. The TEM equipment used in this study was the Tecnai F20.The electronic states and charge transfer directions of MIL101Cr-TiO2 have been calculated using a density-functional theory (DFT) approach using the VASP software package. We adopt the Perdew-Burke-Ernzerhof (PBE) generalized function (DFT method) to describe the electron exchange correlation energy.

固态紫外-可见漫反射光谱（Solid-state UV-visible diffuse reflectance spectroscopy，UV-vis DRS）用于表征催化剂的光吸收性能与禁带宽度。本研究采用TU-1901型号仪器开展上述测试。傅里叶变换红外光谱（Fourier-transform infrared spectroscopy，FT-IR）用以分析样品的各类特征官能团、分子结构与化学组成，本研究选用Nicolet-6700型红外光谱仪完成测试。光致发光光谱测试（Photoluminescence spectroscopy test，PL）用于分析光生载流子的复合过程，本研究采用PELS-55型号仪器进行测试。扫描电子显微镜（Scanning Electron Microscopy，SEM）用于表征材料的表面形貌、粒径等微观特征，本研究使用的设备为Ultra Plus。透射电子显微镜（Transmission Electron Microscopy，TEM）用于分析材料的微观形貌与结构，本研究采用的TEM设备为Tecnai F20。本研究采用密度泛函理论（density-functional theory，DFT）结合VASP软件包，计算了MIL101Cr-TiO2的电子态与电荷转移方向；计算过程中选用Perdew-Burke-Ernzerhof（PBE）广义泛函（DFT方法）描述电子交换关联能。