Molecular Nanojunction Catalyst for Oxygen Evolution Reaction

Abstract Achieving close integration and strong electronic communication between molecular catalysts and conductive substrates is crucial for developing the stability and catalytic activity of the nanomaterials. However, constructing molecular heterostructure catalyst usually need complex and demanding synthesis processes. Herein, a facile and universal “molecular nanojunction” strategy is developed to prepare molecular catalysts with high stability and catalytic activity by improving the coplanarity of the molecular nanojunction catalysts and facilitating efficient electron transfer. The density function theory (DFT) calculations and in situ characterization indicate that the molecular nanojunction catalyst reduces excessive * OH adsorption and accelerates the deprotonation process, thereby promoting oxygen generation. The “molecular nanojunction” catalyst shows better oxygen evolution reaction (OER) performance than most reported molecular catalysts. What's more, the molecular nanojunction catalysts are applied in alkaline anion exchange membrane (AEM) electrolysis cells, exhibiting excellent catalytic performance.