A perspective of COx conversion to aromatics

Abstract

The sustainable production of chemicals through CO_x hydrogenation is a growing area of interest, with thermal catalytic conversion showing the most promise. Selective hydrogenation to high carbon number products (C₈₊) remains a challenge, and this perspective focuses on recent advancements in heterogeneous catalytic CO_x hydrogenation to aromatics. Efficient conversion has been achieved using tandem catalysts composed of metal oxides and nano-porous zeolites, particularly H-ZSM-5, which activate CO_x and dissociate H₂ while promoting precise C–C coupling and cyclization. Such behavior facilitated the system towards a simple biological system. However, understanding the reaction mechanisms, including product selectivity and catalyst activity regulation is still a challenge. This perspective reviews recent progress and integrates quantitative activity descriptors for metal-dependent speciation within the biological metabolic system. H* adsorption energy in the presence of C₁ oxygenate intermediates is identified as a speciation-sensitive activity descriptor, while zeolite topologies serve as product selectivity descriptors. These findings establish robust structure–performance relationships and guide the rational design of high-performance CO_x hydrogenation to aromatic catalysts.