LI, QINYE Catalysts Design for Ammonia Synthesis at Room Temperature Using computational technology, I predicted a series of promising catalysts for ammonia synthesis from air and water at room temperature. Advanced knowledge of surface processes involved in this reaction has been obtained. A theoretical method has been proposed to find high performance catalysts. Nitrogen reduction reaction;Chemical Thermodynamics and Energetics;Computational Chemistry 2019-10-09
    https://bridges.monash.edu/articles/thesis/Catalysts_Design_for_Ammonia_Synthesis_at_Room_Temperature/9922967
10.26180/5d9d61872109e