On the CO2 photocatalytic reduction over indium tin oxide (ITO) ultra-thin films in water vapor: Experimental and theoretical study

Artificial photosynthesis that converts CO2 and H2O into compounds with added value is a viable method for reducing atmospheric CO2 concentration. In this study, we investigated the photocatalytic activity of ultrathin indium tin oxide (ITO) films on rigid and flexible substrates for CO2 reduction in water vapor and batch and flow setups. To explain a viable reaction mechanism for the 2760 +/- 10 % mu mol.gcat-1 .hr-1 production rate achieved in a continuous reaction system, several theoretical models were developed. According to DFT simulation results, oxygen vacancy might be regarded as the main reaction site for CO2 to CO conversion. Moreover, a viable re-action pathway leading to CH4 formation is proposed. The catalyst's lower rate of CO2 reduction in the batch reactor as compared with the flow reactor was justified via surface affinity simulation. Our findings highlight the significance of the catalyst's structural design and reaction media configuration for stability and high activity.

Automated summary

Artificial photosynthesis is a promising method for reducing atmospheric CO2 concentration by converting CO2 and H2O into valuable compounds. This study explores the photocatalytic activity of ultrathin indium tin oxide (ITO) films on different substrates for CO2 reduction. The reaction mechanism and viable pathways for CO2 conversion to CO and CH4 are proposed based on theoretical models and simulations. The findings emphasize the significance of catalyst design and reaction media configuration for high activity and stability.