Overview

• Advanced molecular simulations show that when acceptor molecules transiently stick to an iron catalyst, nearby molecules can assist the charge transfer to complete it.
• The newly identified mechanisms explain a major source of inefficiency in iron-based photoredox systems and point to design strategies to improve performance.
• The findings are reported in the Journal of the American Chemical Society in a study led by Lund University researchers.
• The work addresses the critical first step of charge separation, and the authors note that experimental validation and full catalytic-cycle development are still required.
• If confirmed, the insight could guide the creation of cheaper, scalable solar-to-fuel catalysts that use abundant iron rather than costly rare-earth metals.