Green Electrosynthesis of 5,5′‐Azotetrazolate Energetic Materials Plus Energy‐Efficient Hydrogen Production Using Ruthenium Single‐Atom Catalysts

Abstract Water electrolysis involves two parallel reactions, that is, oxygen evolution (OER) and hydrogen evolution (HER), in which sluggish OER is a significant limiting step that results in high energy consumption. Coupling the thermodynamically favorable electrooxidation of organic alternatives to value‐added fine chemicals HER is a promising approach for the simultaneous cost‐effective production of value‐added chemicals and hydrogen. Here, a new coupling system for the green electrochemical synthesis of organic energetic materials (EMs) plus hydrogen production using single‐atom catalysts is introduced. The catalysts are prepared by the facile galvanostatic deposition of ruthenium single atoms on the molybdenum selenide and reveal a low HER overpotential of 38.9 mV at −10 mA cm⁻² in an alkaline medium. Importantly, the cell voltage of water electrolysis can be significantly reduced to only 1.35 V at a current of 10 mA cm⁻² by coupling water splitting with the electrooxidation of 5‐amino‐1H‐tetrazole to synthesize 5,5′‐azotetrazolate energetic material. These materials are traditionally synthesized under harsh conditions involving a strong oxidizing agent, high‐temperature conditions, and difficult separation of by‐products. This study provides a green and efficient method of synthesizing organic EMs while simultaneously producing hydrogen.