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TiO2 thin films sensitization with natural dyes extracted from Bactris guineensis for photocatalytic applications: Experimental and DFT study
Journal of Saudi Chemical Society ( IF 5.6 ) Pub Date : 2020-03-26 , DOI: 10.1016/j.jscs.2020.03.004
Carlos Diaz-Uribe , William Vallejo , Eduardo Romero , M. Villareal , M. Padilla , N. Hazbun , Amner Muñoz-Acevedo , Eduardo Schott , Ximena Zarate

TiO2 thin films, sensitized by an anthocyanins-rich extract of a common species found in the Colombian Caribbean region (Bactris guineensis fruits), were used for the photocatalytic degradation of methylene blue. The sensitization process was verified by diffuse reflectance spectroscopy (DRS). The qualitative and quantitative analyses of the anthocyanins were carried out using high-performance liquid chromatography with photodiode array detection (HPLC-DAD), which provided the total content anthocyanin equivalent to delphinidin chloride (TAEDC) per mL of the extract, of 10.0 ± 0.8 µg TAEDC/mL. Here, three main anthocyanins were identified, being cyanidin-3-rutinoside the most abundant constituent (ca. 76%). The interaction of the dyes with a TiO2 slab model and their adsorption energies were determined through computational simulations. In addition, the molecular modelling evidenced that the sensitization of the semiconductor improved the light absorption in the visible range of the spectrum. As a final point, the photocatalytic test showed that the photocatalytic activity increased 26% for TiO2/B. guineensis thin films under visible radiation respect to bare TiO2.



中文翻译:

天然仙人掌中提取的天然染料对TiO 2薄膜的光催化性能:实验和DFT研究

TiO 2薄膜被哥伦比亚加勒比海地区(Bactris guineensis果实)常见物种的富含花青素的提取物所敏化,用于亚甲基蓝的光催化降解。通过漫反射光谱法(DRS)验证了敏化过程。使用高效液相色谱和光电二极管阵列检测(HPLC-DAD)进行花色苷的定性和定量分析,每毫升提取物中的花色苷总含量相当于氯氰菊酯(TAEDC),为10.0±0.8 µg TAEDC / mL。在这里,鉴定出三个主要的花色苷,它们是花青素-3-芸香苷的最丰富成分(76%)。染料与TiO 2的相互作用通过计算模拟确定了平板模型及其吸附能。另外,分子模型证明了半导体的敏化改善了光谱可见范围内的光吸收。最后,光催化试验表明,相对于裸露的TiO 2,可见光下TiO 2 / gu.ensis薄膜的光催化活性提高了26%。

更新日期:2020-03-26
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