Prof. Tao Wang’s group in the Center of Artificial Photosynthesis for Solar Fuels at Westlake University has recently published research work in JACS Au, which was selected as a supplementary cover article. The paper is titled “Theoretical Approach toward a Mild Condition Haber–Bosch Process on the Zeolite Catalyst with Confined Dual Active Sites”.
In this work, the team computationally designs a zeolite-based catalyst with dual molybdenum (Mo) active sites that shows remarkable efficacy in breaking the inert N≡N triple bond with a very low energy barrier. The proposed dual-site strategy in this work provides a theoretical basis for achieving efficient ammonia synthesis under mild conditions.
Dr. Chunli Liu is the first author, PhD student Gaomou Xu is a co-author, and Prof. Tao Wang is the corresponding author.