The Design of TiO2 Nanostructures (Nanoparticle, Nanotube, and Nanosheet) and Their Photocatalytic Activity

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• 作者：Yanlong Yu ; Peng Zhang ; Limei Guo ; Zhandong Chen ; Qiang Wu ; Yihong Ding ; Wenjun Zheng ; Yaan Cao
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：June 19, 2014
• 年：2014
• 卷：118
• 期：24
• 页码：12727-12733
• 全文大小：407K
• 年卷期：v.118,no.24(June 19, 2014)
• ISSN：1932-7455

文摘

Density functional theory (DFT) calculation is carried out to access the band structure and density of states (DOS) based on the models of TiO₂ nanoparticle, nanotube, and nanosheet, predicting the order of the photocatalytic activity for three different nanostructures. Sol鈥揼el method and hydrothermal method are used to achieve desired morphologies: nanoparticles, nanotubes, and nanosheets (fragmentized nanotubes). The photocatalytic activity ranks in the order of nanosheets > nanotubes > nanoparticles, which is consistent with theoretical prediction. It was revealed that the enlargement of band gap is caused by the quantum confinement effect; the prolonged lifetime of photogenerated electrons and increased specific surface areas are dependent on the morphology of the nanostructure. All these factors contribute to the improvement of the photocatalytic activity for nanostructures. Our results can guide the design and selection of low-dimensional nanomaterials with desired morphology and improved photoelectric functional properties, which can be used in many fields, such as solar cells, photocatalysis, and photosynthesis.