High Alcohols Synthesis via Fischer–Tropsch Reaction at Cobalt Metal/Carbide Interface

Abstract

Utilization of nonprecious transition metals for high alcohols synthesis is of a great importance in heterogeneous catalysis. We synthesized successfully cobalt metal-carbide (Co–Co2C) catalysts, which present remarkable activity and selectivity for high alpha-alcohols via the Fischer–Tropsch reaction. The formation of the stable cobalt carbide and the Co–Co2C interface are found to be essential for the observed reactivity. Density functional theory calculations show that Co2C is highly efficient for CO nondissociative adsorption, behaving as noble-metal-like, whereas the Co metal is highly active for CO dissociative adsorption and the subsequent carbon-chain growth. The interface between the cobalt metal and its carbide phase, as well as the dual sites available at the interface for facile CO insertion to hydrocarbon, could be used to rationalize the design of the nonprecious transition metal catalysts for the oxygenates in syngas conversion.