The role of Mo species in Ni-Mo catalysts for dry reforming of methane

The Ni-Mo catalyst has attracted significant attention due to its excellent coke-resistance in dry reforming of methane (DRM) reaction, but its detailed mechanism is still vague. Herein, Mo-doped Ni (Ni-Mo-x) and MoOx adsorbed Ni surfaces (MoOx@Ni) are employed to explore the DRM reaction mechanism and the effect of coke-resistance. Due to the electron donor effect of Mo, the antibonding states below the Fermi level between Ni and C increase and the adsorption of C decrease, thereby inhibiting the carbonization of Ni. On account of the strong Mo and O interaction, more O atoms gather around Mo, which inhibits the oxidation of Ni and may promote the formation of MoOx species on the Ni-Mo catalyst. The presence of Mo-O species promotes the carbon oxidation, forming a unique redox cycle (MoOx <-> MoOx-1) similar to the Mars-van Krevelen (MvK) mechanism, explaining the excellent anti-carbon deposition effect on the Ni-Mo catalyst.

Automated summary

This study investigates the mechanism and coke-resistance ability of the Ni-Mo catalyst in dry reforming of methane (DRM) by using Mo-doped Ni and MoOx adsorbed Ni surfaces. The electron donor effect of Mo inhibits the carbonization of Ni, while the strong interaction between Mo and O promotes the formation of MoOx species. The presence of Mo-O species enhances the carbon oxidation reaction.