Design of PtM (M = Ru, Au, or Sn) bimetallic particles supported on TS-1 for the direct dehydrogenation of n-butane

In this study, a theoretical model based on the use of PtM (M = Ru, Au, or Sn) bimetallic clusters supported on titanium silicalite (TS-1) was built and used to investigate the dehydrogenation of n-butane. The catalysts that were suitable for the dehydrogenation process were screened using the cluster model, and a relationship between the d-band center and the energy barrier of the first dehydrogenation step was established. To verify the theoretical results, a series of PtM bimetallic particles supported on TS-1 were prepared and tested in the n-butane dehydrogenation reaction. The order of increasing turnover frequencies and the apparent activation energies of the PtM bimetallic catalysts were essentially consistent with the theoretical results. This study can be used to guide the design of catalysts toward the dehydrogenation of n-butane.