Adsorption mechanisms of NH3on ZrO2in the N-desorption reaction of the chemical looping ammonia generation
- Resource Type
- Article
- Authors
- Liu, Zhongyuan; Yu, Qingbo; Xie, Huaqing; Zhao, Jiatai; Gao, Jinchao
- Source
- Applications in Energy and Combustion Science; June 2023, Vol. 14 Issue: 1
- Subject
- Language
- ISSN
- 2666352X
•NH3molecules were most likely to be adsorbed on the (011) surface of m-ZrO2.•NH3formed unstable chemical bonds with Zr4 and Zr6 adsorption sites, which inhibit the high-temperature decomposition of NH3.•NH3did not form dissociative adsorption on the ZrO2(011) surface.