Tungsten oxide (WO₃) is a common photocatalytic material, and its bandgap structure determines its photocatalytic activity. The bandgap structure of tungsten oxide can be studied by experimental techniques and theoretical calculations.
Experimentally, a commonly used method is to use photoelectron spectroscopy (XPS) and ultraviolet-visible diffuse reflectance spectroscopy (UV-Vis DRS) to study the bandgap structure of tungsten oxide. XPS can provide information on the electronic energy levels on the surface of materials, while UV-Vis DRS can be used to measure the absorption spectrum of materials in the visible range. These experimental techniques can provide information about the bandgap structure of tungsten oxide.
From the perspective of theoretical calculations, calculation methods such as density functional theory (DFT) can be used to simulate the electronic structure and band gap of tungsten oxide. DFT is based on the principle of quantum mechanics. By solving the electronic structure equation of the material, the size and type of the band gap of the material can be calculated. Through these computational methods, the bandgap structure of tungsten oxide can be predicted and explained.
The bandgap structure of tungsten oxide is often described as an indirect bandgap semiconductor. In its normal oxidation state, tungsten oxide has a bandgap size of about 2.6-2.8 electron volts (eV), which makes it relatively ineffective at absorbing visible light. However, by doping or surface modification, the bandgap structure of tungsten oxide can be changed to regulate its photocatalytic activity. For example, for the photocatalytic application of water splitting reaction, by doping other metal or non-metallic elements, the electronic structure of tungsten oxide can be changed to improve its visible light absorption ability, thereby enhancing its photocatalytic activity.
In a word, the photocatalytically active bandgap structure of tungsten oxide refers to the size and type of the bandgap in its electronic band structure, which can be studied and adjusted through experiments and theoretical calculation methods.
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