Oxygen incorporation facilitated MoS2 as an efficient and stable catalyst for the reverse water gas shift reaction

A nanosheet MoS2 catalyst is prepared via the hydrothermal method and O incorporation by calcination strategy. The X-ray and BET characterizations show that the calcination results in a considerable increase in crystallinity and specific surface area (from 48.82 to 84.49 m2/g), leading to the efficient adsorption of CO2. In situ DRIFTS spectra and DFT calculations reveal that redox mechanisms are involved in the RWGS reaction on MoS2. CO desorption is facilitated by O incorporation through electron transfer from Mo to O atoms and the higher barriers of CO hydrogenation and dissociation. CH4 formation is effectively suppressed by the edge sulfur vacancies through the weakened adsorption strength of CO. A remarkable CO2 conversion (57 %) and high stability (>1000 h) are obtained at 600 °C. This performance is superior to those of traditional supported catalysts. This study reports a promising two-dimensional layered material for exploring excellent performance catalysts for the reverse water gas reaction.