An active, stable cubic molybdenum carbide catalyst for the high-temperature reverse water-gas shift reaction

Title	An active, stable cubic molybdenum carbide catalyst for the high-temperature reverse water-gas shift reaction
Authors	Milad Ahmadi Khoshooei, Xijun Wang, Gerardo Vitale, Filip Formalik, Kent O. Kirlikovali, Randall Q. Snurr, Pedro Pereira-Almao, Omar K. Farha
Magazine	Science
Date	05/03/2024
DOI	10.1126/science.adl1260
Introduction	The conversion of carbon dioxide (CO₂) to carbon monoxide (CO) holds significant technological promise; however, it faces economic hurdles due to the absence of a cost-effective, active, highly selective, and durable catalyst. This study presents nanocrystalline cubic molybdenum carbide (α-Mo₂C), synthesized via a straightforward and scalable method. This material achieves complete selectivity for CO₂ conversion to CO and sustains its initial equilibrium conversion at high space velocity, even after over 500 hours under demanding reaction conditions at 600°C. Analysis of the catalyst, both during operation and after the reaction, indicated that its exceptional activity, selectivity, and stability stem from its crystallographic phase purity, minimal CO-Mo₂C interactions, and the presence of interstitial oxygen atoms. Mechanistic investigations and density functional theory (DFT) computations supported the conclusion that the reaction progresses via a hydrogen-assisted redox pathway.
Quote	Milad Ahmadi Khoshooei, Xijun Wang and Gerardo Vitale et al. An active, stable cubic molybdenum carbide catalyst for the high-temperature reverse water-gas shift reaction. Science. 2024. Vol. 384(6695):540-546. DOI: 10.1126/science.adl1260
Element	Molybdenum (Mo) , Carbon (C) , Oxygen (O) , Hydrogen (H)