1 research outputs found
The Design of TiO<sub>2</sub> Nanostructures (Nanoparticle, Nanotube, and Nanosheet) and Their Photocatalytic Activity
Density
functional theory (DFT) calculation is carried out to access
the band structure and density of states (DOS) based on the models
of TiO<sub>2</sub> nanoparticle, nanotube, and nanosheet, predicting
the order of the photocatalytic activity for three different nanostructures.
Sol–gel 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