Adsorption mechanisms of NH3 on ZrO2 in the N-desorption reaction of the chemical looping ammonia generation

Zhongyuan Liu,Qingbo Yu,Huaqing Xie, Jiatai Zhao, Jinchao Gao

Applications in Energy and Combustion Science（2023）

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摘要

•NH3 molecules were most likely to be adsorbed on the (011) surface of m-ZrO2.•NH3 formed unstable chemical bonds with Zr4 and Zr6 adsorption sites, which inhibit the high-temperature decomposition of NH3.•NH3 did not form dissociative adsorption on the ZrO2(011) surface.

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关键词

ammonia,nh3,zro2,n-desorption

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