The surface effect of tungsten disulfide plays a crucial role in its physical and chemical properties and related applications, covering aspects such as the characteristics of surface atoms, surface adsorption and reactions, and the influence on the overall performance.
The characteristics of surface atoms are the basis of the surface effect. On the surface of tungsten disulfide, the coordination environment of atoms is completely different from that of internal atoms. Surface atoms have unsaturated coordination, with a large number of dangling bonds. Taking the common hexagonal layered structure as an example, tungsten and sulfur atoms on the layer surface are not fully coordinated by surrounding atoms like internal atoms. This unsaturated coordination makes surface atoms in a relatively high energy state and have high activity. These highly active surface atoms become the active sites for chemical reactions, having a profound impact on the surface chemical properties of tungsten disulfide.
Surface adsorption and reactions are important manifestations of the surface effect. Due to the high activity of surface atoms, tungsten disulfide has a significant adsorption capacity for a variety of gas molecules. For example, for gases such as NO₂, H₂S, and NH₃, the surface of tungsten disulfide can capture gas molecules through physical adsorption or chemical adsorption. In the process of physical adsorption, gas molecules interact with surface atoms through van der Waals forces. This adsorption is relatively weak and usually reversible. In chemical adsorption, gas molecules form chemical bonds with surface atoms, and the adsorption is stronger and often accompanied by electron transfer. Taking the adsorption of NO₂ as an example, after the NO₂ molecule is adsorbed on the surface of tungsten disulfide, it may react chemically with tungsten or sulfur atoms on the surface, resulting in a change in the electronic structure of surface atoms, and then affecting the electrical properties of tungsten disulfide. In catalytic reactions, the adsorption of gas molecules on the surface is the starting step of the reaction. For example, in photocatalytic reactions, after reactant molecules are adsorbed on the surface of tungsten disulfide, under the action of photogenerated electron-hole pairs generated by light excitation, chemical reactions occur to achieve the transformation of substances. The high activity of surface atoms enables tungsten disulfide to effectively reduce the activation energy of the reaction during the catalytic process and increase the reaction rate.
The surface effect also has many influences on the overall performance of tungsten disulfide. In terms of electrical performance, the adsorption of gas molecules on the surface or the chemical reactions that occur will change the surface electron density and charge distribution, and then affect the electrical conductivity of tungsten disulfide. For example, when a reducing gas is adsorbed on the surface of tungsten disulfide, it may inject electrons into the surface, increase the surface electron density, and lead to an increase in electrical conductivity. In terms of optical performance, the surface effect is also reflected. Surface adsorption or reactions may change the light absorption and emission characteristics of tungsten disulfide. For example, the adsorption of certain gas molecules may form new energy levels on the surface of tungsten disulfide, affecting its absorption and emission of light of specific wavelengths, and can be applied to the field of optical sensors. In terms of mechanical performance, the atomic structure and chemical state of the surface will affect the interfacial bonding performance between tungsten disulfide and other materials. When tungsten disulfide is used as a coating material, its surface active atoms can form chemical bonds or strong physical adsorption with the substrate material, enhancing the adhesion between the coating and the substrate and improving the mechanical stability of the coating. In addition, the surface effect will also affect the stability of tungsten disulfide in the environment. In a humid or corrosive gas environment, the high activity of surface atoms may lead to reactions such as oxidation and hydrolysis of tungsten disulfide, affecting its service life. Therefore, in practical applications, it is necessary to consider protecting the surface to improve its stability.
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