Combination and activation of ethylene on the surface of tungsten carbide and platinum

       Tungsten carbide is widely used in many industries because of its excellent physical properties, even in industries that you might not expect. As a professional manufacturer of tungsten carbide spraying, wococarbide.com has strong research and manufacturing capabilities for tungsten carbide. Today we will introduce to you a study on tungsten carbide: about the bonding and activation of acetylene on the surface of tungsten carbide and platinum.

 

Combination and activation of ethylene on the surface of tungsten carbide and platinum

 

Density functional calculations are used to evaluate the ability of the cubic and hexagonal phases of tungsten carbide to combine ethylene as a model compound for unsaturated hydrocarbons, because its adsorption is the first step of an important catalytic process.

 

The following stability trends are calculated: α-WC(0001)-C>α-WC(0001)-W> Pt(111)>γ-WC(001), the binding energy changes to -2.91 eV in the range of -0.72 . The subsurface layer plays a vital role in the bonding, which is conducive to the recombination of the charge in the extended range (greater than 6Å) from the body to the surface. However, the electronic structure of the surface is only modified on the top layer.

 

The surface position of geometric C 2 H 4 recognizes activation, resulting in surface deformation, which is due to the surface atoms observed in Pt(111), α-WC(0001)-C and γ-WC(001) at 0.13–0.61 The energies caused by the upward movement in the Å range are 0.13, 0.15, and 0.61 eV, respectively.

 

The activation of C 2 H 4 on tungsten carbide is compared with the surface of other transition metal carbides, which divides the general classification of carbon-carbon bond extension into one group, with only three groups. If the interest is to activate the ethylene C [double bond, m-dash length] C bond, the surface location and bonding mode should be II and III groups. Infrared spectroscopy mainly shows four useful signals as fingerprints to support and supplement future experiments.

 

The results of this work indicate that the surface of α-WC-W may directly affect the catalytic performance, and the binding of olefins to α-WC-C may cause surface poisoning. Compared with the known α-WC (0001) surface, the metastable γ-WC (001) surface may be a promising system, but challenges arise in its synthesis, stability and catalytic performance. These results paved the way for further research focusing on experimental and theoretical research on the hydrogenation of ethylene and more complex unsaturated hydrocarbons.