%0 Thesis %A LI, QINYE %D 2019 %T Catalysts Design for Ammonia Synthesis at Room Temperature %U https://bridges.monash.edu/articles/thesis/Catalysts_Design_for_Ammonia_Synthesis_at_Room_Temperature/9922967 %R 10.26180/5d9d61872109e %2 https://bridges.monash.edu/ndownloader/files/17852672 %K Nitrogen reduction reaction %K Chemical Thermodynamics and Energetics %K Computational Chemistry %X 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. %I Monash University