Abstract

Proper reactor design is of vital importance for highly-efficient photothermal catalytic CO2 reduction into solar fuels. With respect to the whole chain from capturing solar energy through energy and mass transfer to the final reduction of CO2 into fuels, this work proposes a systematic model of elaborately designing solar-driven photothermal catalytic reactors based on comprehensively studying the broadband light harvesting, energy and mass transport, and chemical conversion processes in the entire reduction of CO2 by harnessing solar energy. The established numerical model including the optical and electrical simulations of the catalyst nanoparticle as well as the flow, thermal, and chemical reaction field in the reactor is developed to integrate the overall process of the photocatalytic CO2 reduction, so as to analyze the effectiveness of the reactor and further obtain the optimal design strategy. Based on the analysis of the calculated results, methods are put forward to promote the chemical reaction by changing various parameters to regulate the light capture, radiation transfer, temperature field, and reactant supply in the catalyst layer. Most importantly, the designed reactor shows solar energy harnessing-conversion capability with remarkable light absorptivity, energy confinement, and reactants enrichment characteristics, thus realizing outstanding catalytic performance. This innovative reactor design strategy could greatly facilitate the solar-driven photothermal catalytic CO2 reduction process.

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