In the crystal structure of tungsten oxide (WO₃), the boundary site refers to the special site existing on the grain boundary or surface of the crystal. The crystal structure of tungsten oxide is composed of tungsten (W) atoms and oxygen (O) atoms. A grain boundary is the interface between two grains in a crystal, while a surface is the part of the crystal that is in contact with the external environment. At grain boundaries and surfaces, the arrangement of atoms differs from that within the crystal, resulting in changes in the local structure and chemical environment. These changes lead to the formation of boundary sites, i.e. specific sites that exist at grain boundaries or on surfaces. Boundary sites often have different physical and chemical properties than sites inside the crystal. They may have higher energy, higher surface activity, or more defects or oxygen vacancies than in the interior of the crystal.
Boundary sites play an important role in the catalytic, photoelectric, and adsorption properties of tungsten oxide. They can affect the interaction between tungsten oxide and the surrounding environment, change the surface reactivity, electron transport properties, etc., thereby affecting the performance and application of the material.
Therefore, studying and understanding the formation and properties of boundary sites in tungsten oxide is of great significance for gaining insight into the interface effects of tungsten oxide materials and optimizing their properties.
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