Identification of the synergistic promotion of P and CO2 on propane dehydrogenation and aromatization over the Zn/P-ZSM-5 catalyst

CO 2 -assisted propane dehydrogenation and aromatization over Zn/P-ZSM-5 are investigated by DFT calculations. The reaction pathways and the synergistic roles of CO 2 and P are clarified, guiding design of efficient zeolite-based catalysts.