Advancing Photoelectrochemical Energy Conversion through Atomic Design of Catalysts

Powered by inexhaustible solar energy, photoelectrochemical (PEC) hydrogen/ammonia production and reduction of carbon dioxide to high added-value chemicals in eco-friendly and mild conditions provide a highly attractive solution to carbon neutrality. Recently, substantial advances have been achieved in PEC systems by improving light absorption and charge separation/transfer in PEC devices. However, less attention is given to the atomic design of photoelectrocatalysts to facilitate the final catalytic reactions occurring at photoelectrode surface, which largely limits the overall photo-to-energy conversion of PEC system. Fundamental catalytic mechanisms and recent progress in atomic design of PEC materials are comprehensively reviewed by engineering of defect, dopant, facet, strain, and single atom to enhance the activity and selectivity. Finally, the emerging challenges and research directions in design of PEC systems for future photo-to-energy conversions are proposed.

Automated summary

Driven by inexhaustible solar energy, photoelectrochemical (PEC) technology shows great potential in hydrogen and ammonia production, as well as the reduction of carbon dioxide to valuable chemicals. Current research focuses on improving light absorption and charge transfer, but the atomic design of photoelectrocatalysts has not received enough attention, limiting overall system performance. Engineering defects, dopants, facets, strains, and single atoms can enhance the activity and selectivity of PEC materials, while future challenges and research directions in PEC system design are proposed.