氨生产
电负性
催化作用
氨
离解(化学)
微波食品加热
分子
化学
化学工程
钌
无机化学
物理化学
材料科学
计算化学
有机化学
物理
工程类
量子力学
作者
Yuxin Wang,Christina Wildfire,Tuhin Suvra Khan,Dushyant Shekhawat,Jianli Hu,Pedram Tavadze,Rosalynn Quiñones,Sara Moreno
标识
DOI:10.1016/j.cej.2021.130546
摘要
Microwave-assisted ammonia synthesis is a promising alternative to the energy-intensive Haber-Bosch process, specially at small- and medium-scale with renewable H2 as resource. Here, we report that Cs promoted Ru/CeO2 catalyst exhibits considerable activity at 533 K and ambient pressure. In this work, the combined theoretical and experimental approaches are adopted to optimize the electronic and geometric structures of Ru on the catalysts. Both DFT modeling work and structural characterization show that the strong interaction between Ru and CeO2 results in the formation of highly dispersed Ru particles favoring ammonia synthesis. The higher electron donating ability of CeO2 and lower electronegativity of Cs promoter result in higher electron density on Ru reducing the N≡N dissociation barrier. The work demonstrates the potential of microwave-assisted catalytic process in activating stable molecules for ammonia synthesis.
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