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Preparation and Properties of Cu2O/TiO2 Heterojunction Nanocomposite for Rhodamine B Degradation under Visible Light
ChemistrySelect ( IF 1.9 ) Pub Date : 2020-07-15 , DOI: 10.1002/slct.202001198 Junkun Nie 1, 2 , Xiaojiao Yu 1, 2 , Dexiu Hu 2 , Ting Wang 1 , Zongbin Liu 1 , Ningning Zhao 1 , Junpeng Li 1 , Binghua Yao 1
ChemistrySelect ( IF 1.9 ) Pub Date : 2020-07-15 , DOI: 10.1002/slct.202001198 Junkun Nie 1, 2 , Xiaojiao Yu 1, 2 , Dexiu Hu 2 , Ting Wang 1 , Zongbin Liu 1 , Ningning Zhao 1 , Junpeng Li 1 , Binghua Yao 1
Affiliation
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Cu2O/TiO2 heterojunction nanocomposite particles were prepared through hydrothermal method. X‐ray diffractometer (XRD), static nitrogen adsorption apparatus, DelsaNano C particle analyzer, SEM, TEM, ultraviolet visible light spectrophotometer (UV‐Vis) were employed to characterize and reveal the microcosmic characteristics, surface micromorphology and optical features of the Cu2O/TiO2 heterojunction nanocomposite particles. The photocatalytic degradation regularity of rhodamine B utilizing Cu2O/TiO2 heterojunction nanocomposite was optimized via the response surface methodology (RSM), and the quadratic regression equation of the degradation rate and coding of experimental variables were constructed. First principle calculation was applied through density function theory (DFT), the binding energies of the heterojunction of multiple Cu2O crystal surfaces and TiO2 were computed by Vienna Ab‐Initio Simulation Package. The results showed that the prepared Cu2O/TiO2 heterojunction nanocomposite crystal nanoparticles had high purity with a Cu2O crystallization preferential orientation of (111) plane. TiO2 doped Cu2O nanocomposite increased the forbidden band width, specific surface, dispersibility and absorbance efficiency in the visible light range. R2 value of the constructed quadratic regression equation was 0.9233, showing the constructed regression model was available and the photocatalytic process and the established model had good fitness. The optimum conditions for the rhodamine B degradation were obtained as follows: the photocatalytic time was 3 h, the amount of catalyst was 40 mg/L and the solution pH value was 3. The experimental degradation rate of rhodamine B was predicted to be 91.8% and the relative error between the theoretical value and the experimental value was 2.8%. All the calculated binding energies of Cu2O/TiO2 heterojunction nanocomposites were positive and Cu2O (111)/TiO2 heterojunction nanocomposites were most likely to present high catalytic activity. The photocatalytic degradation mechanism, transfer and separation laws of photogenerated carriers of Cu2O/TiO2 p‐n heterojuncion were explored and revealed.
中文翻译：
可见光降解罗丹明B的Cu2O / TiO2异质结纳米复合材料的制备与性能
采用水热法制备了Cu 2 O / TiO 2异质结纳米复合颗粒。利用X射线衍射仪（XRD），静态氮吸附设备，DelsaNano C颗粒分析仪，SEM，TEM，紫外可见光分光光度计（UV-Vis）表征并揭示了Cu 2的微观特征，表面微观形貌和光学特征O / TiO 2异质结纳米复合颗粒。Cu 2 O / TiO 2对若丹明B的光催化降解规律通过响应面法（RSM）对异质结纳米复合材料进行了优化，构建了降解速率和实验变量编码的二次回归方程。通过密度泛函理论（DFT）应用第一原理计算，使用Vienna Ab-Initio模拟软件包计算多个Cu 2 O晶体表面和TiO 2的异质结的结合能。结果表明，制备的Cu 2 O / TiO 2异质结纳米复合晶体纳米粒子具有较高的纯度，且Cu 2 O的结晶优先取向为（111）面。TiO 2掺杂Cu 2O纳米复合材料在可见光范围内增加了禁带宽度，比表面积，分散性和吸收效率。所构建的二次回归方程的R 2值为0.9233，表明所建立的回归模型是可行的，并且光催化过程和所建立的模型具有良好的适应性。罗丹明B的最佳降解条件为：光催化时间为3h，催化剂量为40mg / L，溶液pH值为3。罗丹明B的实验降解率预计为91.8％。理论值与实验值的相对误差为2.8％。计算出的Cu 2 O / TiO 2的所有结合能异质结纳米复合材料为正，Cu 2 O（111）/ TiO 2异质结纳米复合材料最有可能表现出高催化活性。探索并揭示了Cu 2 O / TiO 2 p-n异质结光生载流子的光催化降解机理，转移和分离规律。
更新日期：2020-07-15
中文翻译：
可见光降解罗丹明B的Cu2O / TiO2异质结纳米复合材料的制备与性能
采用水热法制备了Cu 2 O / TiO 2异质结纳米复合颗粒。利用X射线衍射仪（XRD），静态氮吸附设备，DelsaNano C颗粒分析仪，SEM，TEM，紫外可见光分光光度计（UV-Vis）表征并揭示了Cu 2的微观特征，表面微观形貌和光学特征O / TiO 2异质结纳米复合颗粒。Cu 2 O / TiO 2对若丹明B的光催化降解规律通过响应面法（RSM）对异质结纳米复合材料进行了优化，构建了降解速率和实验变量编码的二次回归方程。通过密度泛函理论（DFT）应用第一原理计算，使用Vienna Ab-Initio模拟软件包计算多个Cu 2 O晶体表面和TiO 2的异质结的结合能。结果表明，制备的Cu 2 O / TiO 2异质结纳米复合晶体纳米粒子具有较高的纯度，且Cu 2 O的结晶优先取向为（111）面。TiO 2掺杂Cu 2O纳米复合材料在可见光范围内增加了禁带宽度，比表面积，分散性和吸收效率。所构建的二次回归方程的R 2值为0.9233，表明所建立的回归模型是可行的，并且光催化过程和所建立的模型具有良好的适应性。罗丹明B的最佳降解条件为：光催化时间为3h，催化剂量为40mg / L，溶液pH值为3。罗丹明B的实验降解率预计为91.8％。理论值与实验值的相对误差为2.8％。计算出的Cu 2 O / TiO 2的所有结合能异质结纳米复合材料为正，Cu 2 O（111）/ TiO 2异质结纳米复合材料最有可能表现出高催化活性。探索并揭示了Cu 2 O / TiO 2 p-n异质结光生载流子的光催化降解机理，转移和分离规律。
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