Preparation, characterization and visible-light-driven photocatalytic activity of Fe-doped titania nanorods and first-principles study for electronic structures
Preparation, characterization and visible-light-driven photocatalytic activity of Fe-doped titania nanorods and first-principles study for electronic structures
复制标题
Fe掺杂二氧化钛纳米棒的制备、表征、可见光驱动光催化活性及电子结构第一性原理研究
DOI：
10.1016/j.apcatb.2009.04.021
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发表时间：
2009-08-17
影响因子：
22.1
通讯作者：
Zhou, Minghua
中科院分区：
文献类型：
--
作者：
Yu, Jiaguo;Xiang, Quanjun;Zhou, Minghua
以水热法制备的钛酸盐纳米管为前驱体，以Fe(NO3)(3)为掺杂剂，采用浸渍-焙烧法制备了Fe掺杂的纳米棒。用扫描电子显微镜、透射电子显微镜、X射线衍射仪、X-射线光电子能谱、N-2吸附-脱附等温线和紫外-可见光谱对样品进行了表征。在可见光照射下，通过对空气中丙酮的光催化氧化来评价其光催化活性。结果表明，Fe掺杂大大提高了介孔二氧化钛纳米棒的可见光催化活性，当Fe/Ti(R-Fe)原子比在0.1~1.0%范围内，样品的光催化活性高于Degussa P25和纯的二氧化钛纳米棒。当R-Fe=0.5%时，Fe-TiO2纳米棒的光催化活性是Degussa P25的两倍多。这归因于一维纳米结构可以增强载流子的传输和输运，Fe掺杂导致吸收边向可见光范围移动，使带隙变窄，减少了光生电子和空穴的复合。此外，第一性原理密度泛函理论(DFT)计算进一步证实了Fe-TiO2纳米棒的吸收边红移和带隙变窄。(C)2009爱思唯尔B.V.保留所有权利。
Fe-doped TiO2 (Fe-TiO2) nanorods were prepared by an impregnating-calcination method using the hydrothermally prepared titanate nanotubes as precursors and Fe(NO3)(3) as dopant. The as-prepared samples were characterized by scanning electron microscope, transmission electron microscope, X-ray diffraction, X-ray photoelectron spectroscopy, N-2 adsorption-desorption isotherms and UV-vis spectroscopy. The photocatalytic activity was evaluated by the photocatalytic oxidation of acetone in air under visible-light irradiation. The results show that Fe-doping greatly enhance the visible-light photocatalytic activity of mesoporous TiO2 nanorods, and when the atomic ratio of Fe/Ti (R-Fe) is in the range of 0.1-1.0%, the photocatalytic activity of the samples is higher than that of Degussa P25 and pure TiO2 nanorods. At R-Fe = 0.5%, the photocatalytic activity of Fe-TiO2 nanorods exceeds that of Degussa P25 by a factor of more than two times. This is ascribed to the fact that the one-dimensional nanostructure can enhance the transfer and transport of charge carrier, the Fe-doping induces the shift of the absorption edge into the visible-light range with the narrowing of the band gap and reduces the recombination of photo-generated electrons and holes. Furthermore, the first-principle density functional theory (DFT) calculation further confirms the red shift of absorption edges and the narrowing of band gap of Fe-TiO2 nanorods. (C) 2009 Elsevier B.V. All rights reserved.