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 theo-retical 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.

Automated summary

In this study, a theoretical model based on PtM (M = Ru, Au, or Sn) bimetallic clusters supported on titanium silicalite (TS-1) was developed and applied to investigate the dehydrogenation of n-butane. The catalysts suitable for the dehydrogenation process were identified using the cluster model, and a correlation between the d-band center and the energy barrier of the first dehydrogenation step was established. Experimental results confirmed the theoretical findings, as PtM bimetallic catalysis supported on TS-1 exhibited consistent trends in turnover frequencies and apparent activation energies. This study provides guidance for designing catalysts for n-butane dehydrogenation.