Publications by authors named "Shuaike Zhi"

Using CO as a mild oxidizing agent in propane dehydrogenation (PDH) presents an attractive pathway for the generation of propene while maintaining high selectivity. CrO is one of the most important catalysts used for the CO-assisted PDH process. In this study, the doping of CrO with single atoms such as Ge, Ir, Ni, Sn, Zn, and Zr was used for the PDH process.

View Article and Find Full Text PDF

Propane dehydrogenation under CO is an important catalytic route to obtain propene with a good balance between selectivity and stability. However, a precise description of the catalytic role of CO in propane dehydrogenation is still absent. In this work, we focus on the elucidation of the role of CO by using DFT-based microkinetic simulation.

View Article and Find Full Text PDF

HBr, as a soft oxidant, has been demonstrated to have a good balance between stability and selectivity in catalytic propane dehydrogenation. However, the origin of enhancements induced by HBr (hydrobromic acid) remains elusive. In this study, DFT-based microkinetic simulations were performed to reveal the reaction pathway and performance of propane dehydrogenation catalyzed by CeO in the presence of HBr.

View Article and Find Full Text PDF