Frustrated Lewis pairs on Al-doped CeO2 for efficient reverse water–gas shift reaction

The reverse water–gas shift (RWGS) reaction holds promise for producing high value-added CO from CO2, serving as a crucial intermediate to feedstock for producing various hydrocarbons through Fischer-Tropsch synthesis reactions. Metallic catalysts often yield significant methane production as a by-product during operation, whereas non-metallic oxide catalysts offer potential for high CO selectivity. We prepare Al doped CeO2 nanorod by atomic layer deposition (ALD). The incorporation of Al creates more oxygen vacancies on the surface, resulting in increased Frustrated Lewis Pair (FLP) sites. Particularly, the CO yield of ALD-modified CeO2 was enhanced by 134 % compared to that of pristine CeO2 nanorods (CeO2-NR) at 500 °C, with CO selectivity reached 100 %. Density Functional Theory (DFT) calculations reveal a lower energy barrier for H2 dissociation facilitated by the formation of FLP sites, potentially leading to heightened activity in the Reverse Water Gas Shift (RWGS) reaction.